部分主要项目：

1. 新型二维材料的谷电子效应及调控，62万，国家自然科学基金面上项目，

   12074217，2021-01-2024-12。 主持，在研。

2. 二维新能源复合材料的计算与仿真，500万，山东省重点研发计划（重大科技创新工程竞争择优类），2019JZZY010302，2019-01-2021-12         主持， 在研。

3. MoSSe范德华层状结构中的层间激子效应，20万， 山东省自然科学基金项目，    ZR2019MEM013，2019-07-2022-06  主持，在研。

4. 贵金属/半导体复合光催化材料的元激发对光吸收增强和载流子分离的作用，90万，国家基金面上项目，11374190， 2014-2017， 主持，结题。

5. 非过渡金属杂质、缺陷对拓扑绝缘体材料改性的理论研究，50万，国家基金面上项目，11174180， 2012-2015，主持，结题。

6. 新型二维量子自旋霍尔体系奇异性质的研究， 12万， 教育部博士点基金。20120131110066，2013-2015，主持，结题。

7.高效光催化材料的设计与制备,  524万，科技部973计划, 2013-2017，骨干，结题

8. 光催化材料的内建电场的构建及其促进光生载流子分离的物理化学过程, 300万，国家自然基金重点项目，21333006，2013-01-2018-12，参与，结题。

9. 光催化材料及其应用的基础研究，662万， 科技部973计划, 2007CB613302，2007-2012，骨干，结题

10. 金刚石宽带隙半导体杂质、缺陷电子性质研究，30万，国家自然科学基金面上项目，10774091，2008-2010，主持，结题。

11. TiO2的表面结构和电子结构与光催化性质相关问题研究，7万，山东省自然科学基金项目，ZR2011AM009，2012-2014，主持，结题。

12.金刚石基生物传感器基础研究，5.5万， 山东省自然科学基金项目，Y2007A18，2008-2010，主持，结题。

13. 高温半导体金刚石n型掺杂机理研究，教育部博士点基金，2006-2008,主持，结题。

14.金刚石半导体材料电子性质研究，30万，国家自然科学基金面上项目，10374060， 2004-2006  ，主持，结题。

15. 金刚石电子器件开发的基础研究, 3 万，山东省自然科学基金项目，Y2003A01, 2004-2006年, 主持，结题.

[6] Layer-coupled corner states in two-dimensionaltopological multiferroics

    Runhan Li, Xiaorong Zou, Yingxi Bai, Zhiqi Chen, Baibiao Huang, Ying Dai, Chengwang Niu

    Mater. Horiz., 2024,  https://doi.org/10.1039/d3mh01266b

[5] Chiral Magnetic Quasiparticles with Zero TopologicalCharge in 2D Lattice

     Wenhui Du, Zhonglin He, Kaiying Dou, Xinru Li, Ying Dai, Baibiao Huang,and Yandong Ma

     Adv. Funct. Mater. 2024, 2400971. https://doi.org/10.1002/adfm.202400971

[4] Improving nitric oxide reduction reaction through surface doping on superstructures

     Baokun Zhang, Ying Dai, Baibiao Huang, Zhao Qian, Rajeev Ahuja, Wei Wei,

     Nano Energy,2024,123,109396. https://doi.org/10.1016/j.nanoen.2024.109396

[3] Engineering Layertronics in Two-Dimensional Ferromagnetic Multiferroic Lattice，

      Yibo Liu，Yangyang Feng，Ying Dai，Baibiao Huang, Yandong Ma  

     Nano Lett. 24 (11) ,3507-3514, 2024，https://doi.org/10.1021/acs.nanolett.4c00436

[2] Layer-Polarized Anomalous Hall Effects from Inversion-Symmetric Single-Layer Lattices

    Ting Zhang, Xilong Xu, Jinghua Guo, Ying Dai, and Yandong Ma

     Nano Lett. 2024, 24, 1009-1014. https://doi.org/10.1021/acs.nanolett.3c04597

[1] Engineering Gapless Edge States from Antiferromagnetic Chern Homobilayer

      Xiaorong Zou，Runhan Li, Zhiqi Chen，Ying Dai, Baibiao Huang, Chengwang Niu

      Nano Lett. 2024,24, 450–457 https://doi.org/10.1021/acs.nanolett.3c04304

[1]  Mixed Bloch-Néel type skyrmions in a two-dimensional lattice

      Zhonglin He, Kaiying Dou, Wenhui Du, Ying Dai, Baibiao Huang,Yandong Ma

       PHYSICAL REVIEW B 109, 024420, 2024. https://doi.org/10.1103/PhysRevB.109.024420

[14]  Unveiling Pseudo-Inert Basal Plane for Electrocatalysisin 2D Semiconductors: Critical Role
       of Reversal-Activation Mechanism new!!

       Yanmei Zang, Qian Wu, Shuhua Wang, Baibiao Huang, 
       Ying Dai, Thomas Heine, Yandong Ma

        Adv. Energy Mater. 2023, 2303953

[13] Strain-Valley Coupling in 2D Antiferromagnetic Lattice new!!

       Yibo Liu, Yangyang Feng, Ting Zhang, Zhonglin He, Ying Dai,
       Baibiao Huang,and Yandong Ma

       Adv. Funct. Mater. 2305130,2023

[12] Magnetic Weyl Semimetal in BaCrSe2 with Long-Distance Distribution of Weyl Points new!!

       Wenli Sun, Bingyang Li, Xiaorong Zou, Runhan Li, Baibiao Huang, Ying Dai, Chengwang Niu
        Adv. Sci. 2023, 2301474，2023
[11] Bloch-type magnetic skyrmions in two-dimensional lattices,new!!

      Wenhui Du, Kaiying Dou, Zhonglin He, Ying Dai, Baibiao Huang and Yandong Ma

      Mater. Horiz. 10, 5071,2023

[10] Ferroelectrically tunable magnetic skyrmions in two-dimensional multiferroics  

       Zhonglin He, Wenhui Du,  Kaiying Dou,  Ying Dai,  Baibiao Huang  and  Yandong Ma

        Mater. Horiz.，2023,10, 3450-3457,DOI: 10.1039/d3mh00572k

[9] Activating dual atomic electrocatalysts for the nitric oxide reduction reaction
      through the P/S element 

      Yanmei Zang, Qian Wu,* Shuhua Wang, Baibiao Huang, Ying Dai and Yandong Ma

         Mater. Horiz., 2023, 10, 2160–2168

[8] Layer Hall Effect in Multiferroic Two-Dimensional Materials  

      Yangyang Feng, Ying Dai, Baibiao Huang, Liangzhi Kou,Yandong Ma

       Nano Lett. 2023, 23, 11, 5367–5372

[7] d⁰ Magnetic Skyrmions in Two-Dimensional Lattice  

      Kaiying Dou, Zhonglin He, Wenhui Du, Ying Dai, Baibiao Huang, Yandong Ma

     Adv. Funct. Mater.2023, 2301817

[6] Layer-polarized anomalous Hall effects in valleytronic van der Waals bilayers  

     Ting Zhang,Xilong Xu,Baibiao Huang, Ying Dai,  Liangzhi Kou and Yandong Ma

      Mater. Horiz., 2023, 10, 483.

[5] Robust Second-Order Topological Insulators with Giant Valley Polarization in

     Two-Dimensional Honeycomb Ferromagnets

     Runhan Li, Ning Mao, Xinming Wu, Baibiao Huang, Ying Dai, and Chengwang Niu

       Nano Lett. 2023, 23, 1, 91–97

[4] Tuning the Coordination Microenvironment of Central Fe Active Site to Boost Water Electrolysis

      and Oxygen Reduction Activity

      Shuhua Wang, Baibiao Huang, Ying Dai, and Wei Wei

       Small, 2023, 19, 2205111

[3] Multiple Topological Magnetism in van der Waals Heterostructure of MnTe₂/ZrS₂

     Zhonglin He, Kaiying Dou, Wenhui Du, Ying Dai, Baibiao Huang, and Yandong Ma

     Nano Lett. 2023, 23, 312−318

[2] Theoretical Prediction of Antiferromagnetic Skyrmion Crystal in Janus Monolayer CrSi2N₂As₂

     Kaiying Dou, Wenhui Du, Zhonglin He, Ying Dai, Baibiao Huang, and Yandong Ma

     ACS Nano 2023, 17, 1144−1152

[1] Engineering Second-Order Corner States in 2D Multiferroics

     Yingxi Bai, Ning Mao, Runhan Li, Ying Dai, Baibiao Huang, and Chengwang Niu

      Small, 2023, 2206574.

[20] Spin spiral order induced ferroelectricity in MnRe₂O₈ monolayer new!!

       Shiqiang Yu, Yushuo Xu, Ying Dai, Dongyue Sun, Baibiao Huang, and Wei Wei

       Phys. Rev. B 2023，108, 174429

[19]  High-Throughput Screening of Effective Dual Atom Catalysts for the Nitric Oxide
        Reduction Reaction  new!!

         Xiaowen Sun，Ying Dai，Baibiao Huang，Wei Wei

        J. Phys. Chem. Lett. 2023, 14, 51, 11684–11690

[18] Robust quantum anomalous Hall effect with tunable magnetization directions and

       Chern numbers new!!

 Xinming Wu, Runhan Li, Xiaorong Zou, Baibiao Huang, Ying Dai, and Chengwang Niu

        Phys. Rev. B 108, 115438,2023

[17] Ferroelectric heterobilayer with tunable first- and higher-order topological states new!!
        Runhan Li, Ning Mao, Linke Cai, Yingxi Bai, Baibiao Huang, Ying Dai, and Chengwang Niu
        Phys. Rev. B 108, 125302，2023

[16]Charge-Transfer-Driven Phase Transition of Two-Dimensional MoTe2 in
      Donor–Acceptor Heterostructures new!!
       Shiqiang Yu, Ying Dai, Baibiao Huang, and Wei Wei
       J. Phys. Chem. Lett. 2023, 14, 35, 7946–7952

[15] A mixed Weyl semimetal in a two-dimensional ferromagnetic BaCrSe₂ monolayer new!!
       Bo Yuan, Wenli Sun, Yingxi Bai, Zhiqi Chen, Baibiao Huang, Ying Dai and Chengwang Niu
         J. Mater. Chem. C, 2024, 12, 296–300
[14] Characteristic excitonic absorption of MoSi₂N₄ and WSi₂N₄ monolayer new!!

         Hongling Liu, Baibiao Huang, Ying Dai and Wei Wei

        J. Phys. D: Appl. Phys. 56 405103，2023

[13] Spin-valley splitting and spontaneous valley polarization inantiferromagnetic

        Mn₂P₂X₃Y₃ monolayers new!!

         Yushuo Xu ，Hongling Liu Ying Dai;Baibiao Huang;Wei Wei

        Appl. Phys. Lett. 122, 242404 (2023)

[12] Ohmic contacts of the two-dimensional Ca2N/MoS2 donor–acceptor heterostructure new!!

       Xinxin Wang, Shiqiang Yu, Yushuo Xu, Baibiao Huang, Ying Dai and Wei Wei

       Phys. Chem. Chem. Phys., 2023, 25, 15433–15440

[11] Coupling a Main-Group Metal with a Transition Metal to Create Biatom Catalysts for

        Nitric Oxide Reduction  

       Yanmei Zang, Qian Wu, Shuhua Wang, Baibiao Huang, Ying Dai, and Yandong Ma

       Phys. Rev. Applied 19, 024003 ,2023

[10] Direct formation of interlayer excitons in MoSSe/WSSe
       van der Waals heterobilayer
       Li, Fengping;  Wang, Yuanyuan;  Liang, Yan;  Dai, Ying;  Huang, Baibiao; Wei, W

        J. Phys.: Condens. Matter 35 304005，2023

[9] Efficient urea formation from N₂O + CO on dual-atom catalysts TM₂/g-CN  

     Zebin Ren, Xinxin Wang, Shuhua Wang, Haona Zhang, Baibiao Huang, Ying Dai and Wei Wei

     J. Mater. Chem. A, 2023, 11, 11507–11516

[8] Second-order topological insulators and tunable topological phase transitions
      in honeycomb ferromagnets  

     Cai, Linke;  Li, Runhan;  Wu, Xinming;  Huang, Baibiao; Dai, Ying;  Niu, Chengwang

     Phys. Rev. B 107, 245116，2023

[7] Nonvolatile electro-mechanical coupling in two-dimensional lattices  

      Xilong Xu,   Ting Zhang,  Ying Dai,   Baibiao Huang  and  Yandong Ma

      Nanoscale Horiz., 2023, 8, 958

[6] Tunable second-order topological insulators in Chern insulators
      2H-FeX2 (X = Cl and Br)  

      Xiaoran Feng, Linke Cai, Zhiqi Chen,Ying Dai, Baibiao Huang,Chengwang Niu 

     Appl. Phys. Lett. 122, 193104,2023

[5] Ohmic contacts of the two-dimensional Ca2N/MoS2 donor–acceptor heterostructure  

      Xinxin Wang,  Shiqiang Yu, Yushuo Xu, Baibiao Huang,  Ying Dai  and  Wei Wei 

       PhysChemChemPhys., 2023, 25, 15433

[４] Intrinsic layer-polarized anomalous Hall effect in bilayer MnBi₂Te₄

　　Rui Peng, Ting Zhang, Zhonglin He, Qian Wu, Ying Dai, Baibiao Huang, and Yandong Ma

   　Phys. Rev. B 107, 08541,2023

[3] Spontaneous Valley Polarization in a Ferromagnetic Fe(OH)₂ Monolayer

     Yushuo Xu, Shuhua Wang, Shiqiang Yu, Xinxin Wang, Baibiao Huang, Ying Dai, and Wei Wei

      J. Phys. Chem. Lett. 2022, 13, 49, 11543–11550

[2] Ferroelectric higher-order topological insulator in two dimensions

    Ning Mao, Runhan Li, Xiaorong Zou, Ying Dai, Baibiao Huang, and Chengwang Niu

    Phys. Rev. B 107, 045125,2023

[1] Tuning the Coordination Microenvironment to Boost the Electrocatalytic HER Activity of M₃(C₆O₃S₃)₂

     Xiaowen Sun, Haona Zhang, Shuhua Wang, Zebin Ren, Baibiao Huang, Ying Dai,  Wei Wei

     J. Phys. Chem.C. 2023,126(39),16606-16614

[7] Spontaneous Valley Polarization Caused by Crystalline Symmetry Breaking
     in Nonmagnetic LaOMX₂ Monolayers

     Yushuo Xu,Yuanyuan Wang,Shuhua Wang,Baibiao Huang, Ying Dai,Wei Wei

    Nano Lett. 22, 9147,2022

[6] Orbital Shift-Induced Boundary Obstructed Topological Materials with a Large Energy Gap

     Ning Mao,Runhan Li,Ying Dai,Baibiao Huang,Binghai Yan,Chengwang Niu

     Advanced Science, 9(27), 2202564,2022

[5] Main-group metal elements as promising active centers for single-atom catalyst
     toward nitric oxide reduction reaction

      Qian Wu, Baibiao Huang,Ying Dai, Thomas Heine and Yandong Ma 

     Npj 2D Materials and Applications, 6, 52,2022

[4] 2D spontaneous valley polarization from inversion symmetric single-layer lattices

     Ting Zhang, Xilong Xu, Baibiao Huang, Ying Dai & Yandong Ma

     Npj Computational Materials, 8, 64,2022

[3] Anomalous valley Hall effect in antiferromagnetic monolayers 

     Wenhui Du, Rui Peng, Zhonglin He, Ying Dai, Baibiao Huang Yandong Ma

     Npj 2D Materials and Applications  6,11,2022

[2] Third-order topological insulators with wallpaper fermions in Tl₄PbTe₃ and Tl₄SnTe₃,

     Ning Mao, Hao Wang, Ying Dai, Baibiao Huang and Chengwang Niu

     Npj Computational Materials  8 ,154,2022

[1] Spontaneous Magnetic Skyrmions in Single-Layer CrInX₃ (X = Te, Se)

        Wenhui Du，Kaiying Dou，Zhonglin He，Ying Dai, Baibiao Huang, and Yandong Ma

      Nano Lett. 22(8), 3440–3446,2022

[25] Spontaneous Valley Polarization and Electrical Control of Valley Physics
       in Single-Layer TcIrGe₂S₆

       Jiangyu Zhao, Ting Zhang,Rui Peng, Ying Dai, Baibiao Huang,Yandong Ma

       J. Phys. Chem. Lett. 13(37), 8749–8754 ,2022

[24] Gate-mediated transition between antiferromagnetic topological and
       Chern insulators in honeycomb X₃MnN₃ (X=Sr,Ba)

        Xiaorong Zou, Hongkai Ma, Runhan Li, Ying Dai, Baibiao Huang, and Chengwang Niu

        Phys. Rev. B, 106, 075144,2022

[23] Intrinsic ferromagnetic triferroicity in bilayer T′-VTe₂

       Ting Zhang, Xilong Xu,  Ying Dai, Baibiao Huang and Yandong Ma

       Appl. Phys. Lett. 120, 192903,2022

[22]  P-orbital multiferroics in single-layer SiN 

       Yangyang Feng, Ting Zhang, Ying Dai, Baibiao Huang, and Yandong Ma

       Appl. Phys. Lett. 120, 193102,2022

[21] Doubled quantum spin Hall effect with high-spin Chern number in α-antimonene and α-bismuthene

       Yingxi Bai, Linke Cai, Ning Mao, Runhan Li, Ying Dai, Baibiao Huang, and Chengwang Niu

        Phys. Rev. B 105, 195142, 2022

[20]  Electronic Properties of Defective Janus MoSSe Monolayer

          Shuhui Zhang, Xinxin Wang, Yuanyuan Wang, Haona Zhang, 
       Baibiao Huang, Ying Dai, and Wei Wei

   J. Phys. Chem. Lett. 13, 21, 4807–4814 ,2022

[19]  Intrinsic valley-related multiple Hall effect in the two-dimensional
        organometallic lattice of NbTa-benzene

        Rui Peng, Zhonglin He, Ying Dai, Baibiao Huang, and Yandong Ma

        Phys. Rev. B 106, 035403 ,2022

[18]  Structural engineering brings new electronic properties to Janus ZrSSe and HfSSe monolayers

       Xinxin Wang,   Shuhui Zhang,   Yuanyuan Wang,   Shiqiang Yu,   Baibiao Huang, 
       Ying Dai and  Wei Wei 

        Phys. Chem. Chem. Phys., 24, 17824-17831,2022

[17] Switchable quantum anomalous Hall effect in a ferromagnetic topological crystalline
       insulating NpSb monolayer

       Wenli Sun, Xinying Li, Bingyang Li, Xiaorong Zou, Baibiao Huang,
       Ying Dai and Chengwang Niu

        J. Phys. D: Appl. Phys. 55 305301,2022

[16] Switchable quantum anomalous and spin Hall effects in honeycomb magnet EuCd₂As₂

       Bingyang Li, Wenli Sun, Xiaorong Zou, Xinying Li, Baibiao Huang, Ying Dai and Chengwang Niu

       New J. Phys. 24 053038 ^,2022

[15] Two-dimensional magnetoelectric multiferroics in a MnSTe/In₂Se₃ heterobilayer
       with ferroelectrically controllable skyrmions

       Kaiying Dou, Wenhui Du, Ying Dai, Baibiao Huang, and Yandong Ma

        Phys. Rev. B 105, 205427

[14] Excited-State Properties of CuInP₂S₆ Monolayer as Photocatalyst for Water Splitting

         Hongling Liu，Shiqiang Yu Yuanyuan Wang, Baibiao Huang，Ying Dai* and Wei Wei*

       J. Phys. Chem. Lett. 2022, 13, 8, 1972–1978

[13] Hydrogen adsorption behavior on AXenes Na₂N and K₂N: a first-principles study

      Shuping Dong, Haona Zhang, Shiqiang Yu, Baibiao Huang, Ying Daiand Wei Wei

       Materials Research Express, 9, 4,2022

[12] Valley-dependent properties in two-dimensional Cr₂COF MXene predicted from first principles

      Xiangyu Feng, Zhonglin He, Rui Peng, Ying Dai, Baibiao Huang, and Yandong Ma

       Phys. Rev. Materials 6, 044001 ,2022

[11] Nitric oxide reduction reaction for efficient ammonia synthesis on
       topological nodal-line semimetal Cu₂Si monolayer

       Zebin Ren Haona Zhang, Shuhua Wang,  Baibiao Huang,  Ying Dai  and  Wei Wei 

        J. Mater. Chem. A，10(15),8568,2022

[10] Origin of the Enhanced Hydrogen Evolution Reaction Activity of Grain Boundaries in MoS₂ Monolayers

         Shuhua Wang,Baibiao Huang,Ying Dai and Wei Wei

      J. Phys. Chem. C 126, 14, 6215–6222,2022,

[9]  Witchable quantum anomalous Hall effect in a ferromagnetic topological
      crystalline insulating NpSb monolayer

      Wenli Sun, Xinying Li， Bingyang Li, Xiaorong Zou, Baibiao Huang, 
       Ying Dai and Chengwang Niu

      J. Phys. D: Appl. Phys. 55, 305301,2022

[8]  Valley-contrasting physics in a two-dimensional px,y-orbital honeycomb lattice 

     Yuanyuan Wang, Chengwang Niu, Baibiao Huang, Ying Dai, and Wei Wei

     Phys.Rev.B,105, 075421, 2022

[7] High-Throughput Screening of Efficient Biatom Catalysts Based on Monolayer
     Carbon Nitride for the Nitric Oxide Reduction Reaction

    Yanmei Zang, Qian Wu, Shuhua Wang, Baibiao Huang, Ying Dai, Yandong Ma

     J. Phys. Chem. Lett. 13, 2, 527,2022,

[6] One-dimensional metallic grain boundary in transition metal dichalcogenides

     Shuhui Zhang, BaibiaoHuang, YingDai, WeiWei

     Computational Materials Science, 203 111115, 2022

[5] An organometal halide perovskite supported Pt single-atom photocatalyst for H₂ evolution

     Yaqiang Wu,  Qian Wu,  Qianqian Zhang,a   Zaizhu Lou,  Kefeng Liu, Yandong Ma,
     Zeyan Wang,Zhaoke Zheng,  Hefeng Cheng,  Yuanyuan Liu,  Ying Dai, 
     Baibiao Huang, Peng Wang 

     Energy Environ. Sci., 15, 1271,2022

[4] Photocatalytic Selective Oxidation of HMF Coupled with H2 Evolution on Flexible
     Ultrathin g-C3N4 Nanosheets with Enhanced N–H Interaction

     Xiaolei Bao, Mu Liu, Zeyan Wang, Dujuan Dai, Peng Wang, Hefeng Cheng, 

     Yuanyuan Liu, Zhaoke Zheng, Ying Dai, and Baibiao Huang

     ACS Catal. 12, 3, 1919,2022

[3] Promoting Electrocatalytic Reduction of CO₂ to C₂H₄ Production by Inhibiting
     C₂H₅OH Desorption from Cu₂O/C Composite

      Yugang Gao, Shiqiang Yu ,Peng Zhou, Xixi Ren, Zeyan Wang, Zhaoke Zheng,
     Peng Wang,Hefeng Cheng, Yuanyuan Liu, Wei Wei,Ying Dai, Baibiao Huang

      Small, 18(9),2105212, 2022

[2] Photothermal synergy for efficient dry reforming of CH₄ by an Ag/AgBr/CsPbBr₃ composite

     Peng Gao, Peng Wang,  Xiaolei Liu,  Zihao Cui, Yaqiang Wu,  Xiaohan Zhang,
     Qianqian Zhang,  Zeyan Wang,Zhaoke Zheng, Hefeng Cheng,Yuanyuan Liu,
     Ying Dai, Baibiao Huang 

     Catal. Sci. Technol., 12, 1628,2022

[1] Borate-modulated amorphous NiFeB nanocatalysts as highly active and
    stable electrocatalysts for oxygen evolution reaction

    Yunrui Zhao,Fahao Ma, Zeyan Wang Peng Wang Yuanyuan Liu, Hefeng Cheng,
    Ying Dai ,Zhaoke Zheng ,Baibiao Huang

    Journal of Alloys and Compounds,903,163741,2022

5*  Intertwined ferroelectricity and topological state in two-dimensional multilayer.
      Liang, Y., Mao, N., Dai, Y., Kou, L. Z., Huang, B. B., Ma, Y. D.
     NPJ Comput. Mater. 7，172，2021

4*  Intercorrelated ferroelectrics in 2D van der Waals materials  
     Liang, Yan，Shen, Shiying，Huang, Baibiao，Dai, Ying，Ma, Yandong
      Materials Horizons, 8, 1683-1689,2021

3*  High-Throughput Screening of Synergistic Transition Metal Dual-Atom Catalysts
      for Efficient Nitrogen Fixation
      Xingshuai Lv，Wei Wei，Baibiao Huang，Ying Dai，Thomas Frauenheim
      Nano Lett.  21, 1871−187,2021 (高被引论文）

2*  Valley polarization caused by crystalline symmetry breaking，

     Yuanyuan Wang, Wei Wei, Fengping Li, Xingshuai Lv, Baibiao Huang, Ying Dai

     Materials Horizons, 8, 244-249,2021.

1* Magnetic topological insulator in two-dimensional EuCd₂Bi₂: giant gap with robust topology

     against magnetic transitions.

     Hao Wang, Ning Mao, Xiangting Hu, Ying Dai, Baibiao Huang, and Chengwang Niu

     Materials Horizons, 8, 956-961,2021.

[34] Quantum spin Hall effect in antiferromagnetic topological heterobilayers.

       Xiangting Hu, Ning Mao, Hao Wang, Ying Dai, Baibiao Huang, and Chengwang Niu. 

       Phys. Rev. B 103, 085109,2021.

[33] Single-Layer ScI2: A Paradigm for Valley-Related Multiple Hall Effect.

       He, Z. L., Peng, R., Dai, Y., Huang, B. B., Ma, Y. D.

       Appl. Phys. Lett. 119, 243102 ,2021

[32]  Antiferromagnetic topological crystalline insulator and mixed Weyl semimetal
       in two-dimensional NpAs monolayer

       Xiaorong Zou, Ning Mao, Bingyang Li, Wenli Sun, Baibiao Huang, 

       Ying Dai and Chengwang Niu

       New J. Phys. 23 (12) 123018,2021

[31] Antiferromagnetic Ferroelastic Multiferroics in Single-Layer VOX (X = Cl, Br) Predicted

      from First-Principles.

      Feng, Y. Y., Peng, R., Dai, Y., Huang, B. B., Duan, L. L., Ma, Y. D.

       Appl. Phys. Lett. 119, 173103 ,2021

[30] H4,4,4-graphyne with double Dirac points as highefficiency bifunctional

       electrocatalysts for water splitting

       Haona Zhang, Wei Wei, Shuhua Wang, Hao Wang, Baibiao Huang,Ying Dai
       J. Mater. Chem. A 2021, 9,4082

[29] Engineering antiferromagnetic topological insulators in two-dimensional NaMnBi
        Xinying Li, Ning Mao, Runhan Li,Ying Dai, Baibiao Huang,Chengwang Niu
        J Mater.Chem.C, 9,16952,2021

[28] Single-valley state in a two-dimensional antiferromagnetic lattice

        Xilong Xu, Zhonglin He, Ying Dai*, Baibiao Huang, and Yandong Ma*
        Phys. Rev. B 104, 205430,2021

[27] Two-dimensional valleytronic semiconductor with spontaneous spin
       and valley polarization in single-layer Cr₂Se₃. 

       He, Z. L., Peng, R., Feng, X. Y., Xu, X. L., Dai, Y.*, Huang, B. B., Ma, Y. D.* 
       Phys. Rev. B 104（7)，075105, 2021

[26] Nonvolatile ferromagnetism in bilayer CrI₃ induced by heterointerface. 
       Shen,S. Y., Wu, Q., Dai, Y.*, Huang, B. B., Ma, Y. D.*: 
       Phys. Rev. B. 104(6),064446,2021

[25] Effect of point defects on electronic and excitonic properties in Janus-MoSSe monolayer
       Chen Long, Ying Dai, and Hao Jin
       Phys. Rev. B 104, 125306,2021 

[24] Magnetism-mediated transition between crystalline and higher-order topological phases in NpSb
       Ning Mao, Xiangting Hu, Hao Wang, Ying Dai, Baibiao Huang, Yuriy Mokrousov,
       and Chengwang Niu
       Phys. Rev. B 103, 195152,2021

[23] Spontaneous valley polarization in two-dimensional organometallic lattices
       Peng, Rui；He, Zhonglin；Wu, Qian；Dai, Ying；Huang, Baibiao；Ma, Yandong
       Phys. Rev. B，104（20），174411，2021

[22] Valley-related multiple Hall effect in single-layer VSi₂P₄.
       Feng, X. Y., Xu, X. L., He, Z. L., Peng, R., Dai, Y.*, Huang, B. B., Ma, Y. D.*
       Phys. Rev. B 104(7), 075421,2021.

[21] Engineering antiferromagnetic topological insulator by strain in two-dimensional
       rare-earth pnictide EuCd₂Sb₂
        Runhan Li, Hao Wang, Ning Mao, Hongkai Ma, Baibiao Huang,  Ying Dai, and  Chengwang Niu

       Appl. Phys. Lett. 119, 173105 ,2021

[20] Steric effects in the hydrogen evolution reaction based on the TMX₄ active center:
       Fe–BHT as a case study
       Zebin Ren,  Shuhua Wang, Haona Zhang,  Baibiao Huang,  Ying Dai ,Wei Wei 
        PhysChemChemPhys., 23, 25239-25245,2021

[19] Two-dimensional transition metal borides as high activity and selectivity catalysts
       for ammonia synthesis
       Haona Zhang, Shuhua Wang, Hao Wang,  Baibiao Huang,   Shuping Dong,  Ying Dai  * and  Wei Wei *
       Nanoscale, 13(41),17331-17339,2021

[18] Borophosphene: A potential anchoring material for lithium-sulfur batteries
       Haona Zhang, Shuhua Wang, Yuanyuan Wang, Baibiao Huang, Ying Dai, Wei Wei
       Applied Surface Science, 562, 150157, 2021

[17] Coronene-based 2D metal-organic frameworks: A new family of promising single-atom catalysts
       for nitrogen reduction reaction. 
       Li, B. S, Du, W. H., Wu, Q., Dai, Y.*, Huang, B. B., Ma, Y. D.*
       J Phys.Chem. C 125(38), 20870–20876 ,2021

[16] Robust  Intrinsic Multiferroicity in a FeHfSe₃ Layer
       Shiqiang Yu, Yuanyuan Wang, Shuhua Wang, Haona Zhang, Baibiao Huang, Ying Dai*, Wei Wei*
       J Phys.Chem.Lett,12(36), 8882–8888,2021

[15] Valley-contrasting physics in single-layer CrSi₂N₄ and CrSi₂P₄
         Liu, Y. B., Zhang, T., Dou, K. Y., Du, W. H., Peng, R., Dai, Y.*, Huang, B. B., Ma, Y. D.*
       J Phys.Chem.Lett,12 (34),8341-8346, 2021

[14] Stable valley-layer coupling and design principle in 2D lattice. 
        Xu,  X. L., He, Z. L., Dai, Y.*, Huang, B. B., Kou, L. Z., Ma, Y. D.*
        Appl. Phys. Lett.119(7),073101,2021

[13] Single-atom catalysts of TM-porphyrin for alkali oxygen batteries: reaction mechanism
       and universal design principle
       Qian Wu,  Shiying Shen,   Rui Peng,   Baibiao Huang,   Ying Dai  * and  Yandong Ma *
       J Mater.Chem.A 9, 16998-17005,2021

[12] Activating electrocatalytic hydrogen evolution performance of two-dimensional
      MSi₂N₄(M=Mo,W): A theoretical prediction.
      Zang, Y. M., Wu, Q., Du, W. H., Dai, Y.*, Huang, B. B., Ma, Y. D.*

       Phys. Rev. Materials 5, 045801,2021.

[11] Single-layer BI: A multifunctional semiconductor with ferroelectricity,
       ultrahigh carrier mobility, and negative Poisson's ratio. 
       Shen, S. Y., Wu, Q., Liang, Y., Huang, B. B., Dai, Y.*, Ma, Y. D.* 
        Phys. Rev. Applied 15, 014027,2021.

[10] Out-of-plane Ferroelectricity and Multiferroicity in
       Elemental Bilayer Phosphorene, Arsenene and Antimonene.
       Liang, Y., Guo, R., Shen, S. Y., Huang, B. B., Dai, Y.*, Ma, Y. D.*
        Appl. Phys. Lett. 118, 012905, 2021

[9] Construction of New Active Sites: Cu Substitution Enabled Surface Frustrated Lewis Pairs over
     Calcium Hydroxyapatite for CO₂ Hydrogenation
     Jiuli Guo, Yan Liang, Rui Song,Joel Y. Y. Loh,Nazir  P. Kherani, Wu Wang, Christian Kübel,
     Ying Dai, Lu Wang, Geoffrey A. Ozin
      Advanced Science,8(17),2101382, 2021 

[8] Efficient nitric oxide reduction to ammonia on a metal-free electrocatalyst

     Wu, Qian; Wang, Hao; Shen, Shiying;Huang Baibaio;Dai, Ying; Ma, Yandong
     J Mater.Chem.A, 9(9),  5434-5441,2021

[7] Intrinsic triferroicity in a two-dimensional lattice
     Shen, Shiying; Xu, Xilong; Huang,Baibiao; Kou, Liangzhi; Dai Ying; Ma, Yandong
     Physical Review B,103(14), 144101,2021

[6] Ferroelastic-ferroelectric multiferroics in a bilayer lattice
     Zhang, Ting；Liang, Yan；Xu, Xilong；Huang, Baibiao；Dai, Ying；Ma, Yandong
     Physical Review B,103(16),165420,2021

[5] Electronic Properties of Monolayer and van der Waals Bilayer of Janus TiClI
     Zhang, Shuhui, Wang, Yuanyuan, Wang, Shuhua;Huang Baibiao;Dai Ying; Wei, Wei
     J Phys.Chem.Lett., 12, 9, 2245-2251,2021

[4] Interlayer coupling effect in van der Waals heterostructures of transition
     metal dichalcogenides.
     Wang, Yuan-Yuan;  Li, Feng-Ping;  Wei, Wei;  Huang, Bai-Biao ; Dai, Ying
      Frontiers of Physics，16(1),13501,2021

[3] Large valley-polarized state in single-layer NbX₂ (X = S, Se): Theoretical prediction
     Yanmei Zang, Yangdong Ma, Rui Peng, Hao Wang, Baibiao Huang
     Nano Research, 1(3),834,2021

[2] Boosting the electrocatalytic HER performance of Ni₃N-V₂O₃ via the interface coupling effect
     Peng Zhou, Guangyao Zhai, Xingshuai Lv, Yuanyuan Liu, Zeyan Wang, Peng Wang,
     Zhaoke Zheng, Hefeng Cheng, Ying Dai, Baibiao Huang
     Applied Catalysis B-Environmental，283,11959,2021

[1] Tailoring the composition and structure of Ni3S2 by introduction of Co towards high
     efficiency energy storage device
     Zhou, Peng；Wu, Yaqiang； Wang, Cong ;  Huang, Huining; Xing, Danning;  Liu, Yuanyuan; 
     Wang, Zeyan; Wang, Peng ; Zheng, Zhaoke;  Cheng, Hefeng；Dai,Ying; Huang Baibiao
     Chemical Engineering J.，403,126285,2021.

5*  Photoexcited charge carrier behaviors in solar energy conversion systems
     from theoretical simulations
     Wei Wei,Baibiao Huang,Ying Dai 
     WIREs Computational Molecular Science,10,e1441,2020                   (Invited review)

4*  Ferromagnetic Dual Topological Insulator in Two-Dimensional Honeycomb Lattice

     Hao Wang, Ning Mao, Chengwang Niu, Shiying Shen,Mike Whangbo, Baibiao Huang and Ying Dai

     Materials Horizons, 7, 2431, 2020 

3*. Antiferromagnetic Topological Insulator with Nonsymmorphic Protection in Two Dimensions

     Chengwang Niu, Hao Wang, Ning Mao, Baibiao Huang, Yuriy Mokrousov, and Ying Dai
     Physical Review Letters 124, 066401，2020

2*. Self-doped p–n junctions in two-dimensional In₂X₃ van der Waals materials
     Rui Peng , Yandong Ma , Shuai Zhang , Baibiao Huang , Liangzhi Kou and Ying Dai
     Materials Horizons, 7, 504-510，2020  （高被引论文）

1*. Holey graphitic carbon nitride (g-CN) supported bifunctional single atom
     electrocatalysts for highly efficient overall water splitting
     Xingshuai Lv，Wei Wei，Hao Wang，Baibiao Huang，Ying Dai
     Applied Catalysis B: Environmental，264, 118521,2020 (高被引论文）

[35] Antiferromagnetic Topological Insulator in Stable Exfoliated Two-Dimensional Materials

       Ning Mao, Hao Wang, Xiangting Hu, Chengwang Niu, Baibiao Huang, and Ying Dai
       Physical Review B 102（11）, 115412,2020

[34] Two-dimensional valleytronics in single-layer t-ZrNY (Y = Cl, Br) predicted from 
       first-principles.
       Zhang, T., Ma, Y. D.*, Xu, X. L., Lei, C. A., Huang, B. B., Dai, Y.*
        J. Phys. Chem. C 124, 20598，2020

[33] Electronic properties of Janus MXY/graphene (M = Mo, W; X not equal Y = S, Se)
       van der Waals structures: a first-principles study
       Yu, Shiqiang; Wei, Wei; Li, Fengping; Huang, Baibiao ;  Dai, Ying
        Physical Chemistry Chemical Physics,22(44),25675-25684, 2020

[32] Highly effective and selective molecular nanowire catalysts for hydrogen
       and ammonia synthesis
       Wu, Qian; Peng, Rui; Huang, Baibiao ; Kou, Liangzhi ;Dai, Ying; Ma, Yandong 
       J. Mater. Chem. A, 8( 48),26075-26084, DEC 28 2020

[31] Nitrogen-free TMS4-centers in metal-organic frameworks for ammonia synthesis 
       Xingshuai Lv, Wei Wei ,Hao Wang, Fengping Li, Baibiao Huang, Ying Dai, Timo Jacob 
      J. Mater. Chem. A, 8(38), 20047-20053,2020

[30] Promising valleytronic materials with strong spin-valley coupling in two-dimensional
       MN₂X₂ (M = Mo, W; X = F, H)
       Dou, Kaiying;  Ma, Yandong;  Peng, Rui;  Du, Wenhui; Huang, Baibiao;  Dai, Ying
         Applied Physics Letters, 117(17), 172405, 2020

[29] Bias-Free Solar Water Splitting by Tetragonal Zircon BiVO4 Nanocrystal Photocathode
       and Monoclinic Scheelite BiVO4 Nanoporous Photoanode
       Liang, Xizhuang; Wang, Peng; Tong, Fengxia; Liu, Xiaolei; Wang, Cong; Wang, Minrui; 
       Zhang, Qianqian; Wang, Zeyan; Liu, Yuanyuan; Zheng, Zhaoke; Dai,Ying; Huang,Baibiao
       ADVANCED FUNCTIONAL MATERIALS, 2008656, 2020

[28]  Research progress and surface/interfacial regulation methods for electrophotocatalytic
        hydrogen production from water splitting.
         X. Liu, P. Wang, X.Liang,  Q.Zhang, Z. Wang, Y. Liu,  Z.Zheng, Ying Dai, Baibiao Huang
        MATERIALS TODAY ENERGY,18,100524, 2020 

[27]  Co-3(hexaiminotriphenylene)(2): A conductive two-dimensional pi-d conjugated
        metal-organic framework for highly efficient oxygen evolution reaction
        Xing, Danning; Wang, Yuanyuan; Zhou, Peng; Liu, Yuanyuan; Wang, Zeyan; Wang, Peng;
        Zheng, Zhaoke; Cheng, Hefeng; Dai, Ying; Huang Baibiao
        Applied Catalysis B-Environmental,278,119295,2020

[26] Ni₃B as a highly efficient and selective catalyst for the electrosynthesis of hydrogen peroxide
       Ma, Fahao; Wang, Shuhua; Liang, Xizhuang; Wang, Cong; Tong, Fengxia; Wang, Zeyan;

       Wang, Peng; Liu, Yuanyuan; Dai, Ying; Zheng, Zhaoke;
       Applied Catalysis B-Environmental,279,119371,2020

[25]   Plasmon-induced dehydrogenation of formic acid on Pd-dotted Ag@Au hexagonal nanoplates
        and single-particle study
        Tong, Fengxia，Lou, Zaizhu，Liang, Xizhuang，Ma, Fahao，Chen, Weijie，Wang, Zeyan，
        Liu, Yuanyuan，Wang, Peng，Cheng, Hefeng，Dai, Ying
        Applied Catalysis B-Environmental, 277,119226, 2020

[24] Exciton manipulation in rippled transition metal dichalcogenides
       Long, Chen,  Dai, Ying;  Li, Jianwei; Jin, Hao

        Nanoscale,12( 41),21124-21130, 2020

[23]  Molybdenum Nitride Electrocatalysts for Hydrogen Evolution More Efficient than
        Platinum/Carbon: Mo2N/CeO2@Nickel Foam
        Cong Wang, Xingshuai Lv, Peng Zhou,;xizhuang Liang, Zeyan Wang, Yuanyuan Liu,
        Peng Wang, Zhaoke Zheng, Ying Dai, Yingjie Li, Myung-Hwan Whangbo, Baibiao Huang
          ACS Appl. Mater. Interfaces 12, 26, 29153–29161,2020,

[22]   Oxygen-Vacancy-Enhanced Singlet Oxygen Production for Selective Photocatalytic Oxidation
        Wang, Jiajia；Xu, Xilong; Liu, Yuanyuan; Zeyan Wang, Peng Wang, Zhaoke Zheng,
        Hefeng Cheng, Ying Dai, and Baibiao Huang
           CHEMSUSCHEM  13,3488-3494 ，‏ ,202

[21] Prediction of two-dimensional antiferromagnetic ferroelasticity in AgF₂ monolayer，
       Xilong Xu, Yandong Ma, Ting Zhang, Chengan Lei, Baibiao Huang and Ying Dai
       Nanoscale Horizons,Inpress,2020 

[20] Intrinsic anomalous valley Hall effect in single-layer Nb₃I₈，
       Rui Peng, Yandong Ma, Xilong Xu Zhonglin He, Baibiao Huang, Ying Dai
       Physical Review B，102（3），035412， 2020 

[19] Prediction of intrinsic electrocatalytic activity for hydrogen evolution reaction in Ti4X3 (X = C, N)
       Hongchao Yang ，Yandong Ma ，Xingshuai Lv，Baibiao Huang，Ying Dai
      Journal of Catalysis 387， 12-16，2020

[18] Stacking-Independent Ferromagnetism in Bilayer VI3 with Half-Metallic Characteristic
       Long, Chen; Wang, Tao; Jin, Hao; Wang, Hao; Dai, Ying
       J. Phys. Chem. Lett.11(6),2185-2164, 2020 

[17] Trifunctional Electrocatalysts with High Efficiency for the Oxygen Reduction Reaction,
       Oxygen Evolution Reaction, and Na-O2 Battery in Heteroatom-Doped Janus Monolayer MoSSe
       Wu, Qian; Ma, Yandong; Wang, Hao; Zhang, Shuai; Huang, Baibiao; Dai, Ying
       ACS applied materials & interfaces ，12（21），24066-24073，2020

[16] High-temperature quantum anomalous Hall insulator in two-dimensional Bi₂ON
       Liang, Yan, Ma, Yandong, Zhao, Pei, Wang, Hao, Huang, Baibiao, Dai, Ying
       Applied Physics Letters, 116, 16, 2020

[15] Stacking-dependent topological phase in bilayer MBi₂Te₄ (M = Ge, Sn, Pb)
       Peng, Rui, Ma, Yandong, Wang, Hao, Huang, Baibiao, Dai, Ying
       Phys. Rev. B, 101(11), 115427, MAR 27 2020

[14] Synthesis of Synergistic Nitrogen-Doped NiMoO₄/Ni₃N Heterostructure for Implementation
       of an Efficient Alkaline Electrocatalytic Hydrogen Evolution Reaction
       Liu, Xiaolei, Guo, Yuhao , Wang, Peng, Wu, Qian, Zhang, Qianqian, Rozhkova, Elena A.,
       Wang, Zeyan, Liu, Yuanyuan, Zheng, Zhaoke, Dai, Ying,
       ACS Appl. Energy Mater.,3, (3), 2440-2449,2020

[13] Tl₂O/WTe₂ van der Waals heterostructure with tunable multiple band alignments
       He,Zhonglin, Ma, Yandong,Lei, Chengan,Peng, Rui,Huang, Baibiao,Dai, Ying
       J. Chem. Phys., 152(7), 074703, FEB 21 2020 

[12] One-step synthesis of Co-doped 1T-MoS₂ nanosheets with efficient and
       stable HER activity in alkaline solutions
       Ma, Fahao,Liang, Yan,Zhou, Peng,Tong, Fengxia,Wang, Zeyan,Wang, Peng,
       Liu,Yuanyuan,Dai, Ying,Zheng, Zhaoke,Huang, Baibiao
       Mater. Chem. Phys.,244,122642, 2020

[11] Valley polarization in monolayer CrX₂ (X = S, Se) with magnetically
       doping and proximity coupling
       Lei, Chengan; Ma, Yandong; Zhang, Ting; Xu, Xilong ; Huang, Baibiao ; Dai, Ying.
       New Journal of Physics，22（3），033002 2020

[10] W supported on g-CN manifests high activity and selectivity for N-2 electroreduction to NH₃ 
       Wang, Shuhua,Wei, Wei, Lv, Xingshuai, Huang, Baibiao, Dai, Ying
       J. Mater. Chem. A, 8, 1378-1385，2020

[9]   Two-Dimensional Ferroelastic Semiconductors in Nb₂SiTe₄ and Nb₂GeTe₄
       with Promising Electronic Properties
       Zhang, Ting，Ma, Yandong，Xu, Xilong，Lei, Chengan，Huang, Baibiao，Dai, Ying
       J. Phys. Chem. Lett. 11,497-503,2020 

[8]  Cu₂O Nanoparticles with Both {100} and {111} Facets for Enhancing the Selectivity
      and Activity of CO₂ Electroreduction to Ethylene
      Gao, Yugang，Wu, Qian，Liang, Xizhuang，Wang, Zeyan，Zheng, Zhaoke，Wang, Peng，
      Liu, Yuanyuan，Dai, Ying, Whangbo, Myung-Hwan，Huang, Baibiao
      Advanced Science,， 7,19028020,2020 （高被引论文）

[7]  Excited-State Properties of Janus Transition-Metal Dichalcogenides
      Li, Fengping，Wei, Wei，Huang, Baibiao，Dai, Ying
      J. Phys. Chem. C，124, 1667-1673，2020 

[6]  Design and synthesis of porous M-ZnO/CeO2 microspheres as efficient
      plasmonic photocatalysts for nonpolar gaseous molecules oxidation:
      Insight into the role of oxygen vacancy defects and M = Ag, Au nanoparticles
      Liang, Xizhuang,Wang, Peng,Gao, Yugang,Huang, Huining,Tong, Fengxia,Zhang, Qianqian,
      Wang, Zeyan,Liu, Yuanyuan,Zheng, Zhaoke,Dai, Ying, Huang,Baibiao
      Applied Catalysis B: Environmental ，260, 118151，2020 （高被引论文）

[5] High-efficient electrocatalytic overall water splitting over vanadium doped
     hexagonal Ni_0.2Mo_0.8N
     Zhou, Peng，Lv, Xingshuai，Xing, Danning，Ma, Fahao，Liu, Yuanyuan，
     Wang, Zeyan，Wang, Peng，Zheng, Zhaoke，Dai, Ying，Huang, Baibiao
     Applied Catalysis B: Environmental，263, 118330，2020 (高被引论文）

[4] Janus Bi₂XYZ monolayers for light harvesting and energy conversion
     from first-principles calculations
     Wang, Yuanyuan; Wei, Wei; Li, Fengping; Huang, Baibiao; Dai, Ying
     Physica E，117, 113823，2020

[3] In situ extract nucleate sites for the growth of free-standing carbon nitride films
     on various substrates
     Li, Huiliang,huang, Huining,Wang, Zeyan,Zheng, Zhaoke,Wang,Peng,Liu,Yuanyuan,
     Zhang,Xiaoyang,Qin,Xiaoyan,Dai,Ying,Li,Yingjie,Zou,Huiling,Huang,Baibiao
     Catalysis Today, 340,92-96,2020

[2] Improving the HER activity of Ni₃FeN to convert the superior OER electrocatalyst to
     an efficient bifunctional electrocatalyst for overall water splitting by doping with molybdenum
     Liu, Xiaolei，Lv, Xingshuai，Wang, Peng，Zhang, Qianqian，Huang, Baibiao，
     Wang, Zeyan，Liu, Yuanyuan，Zheng, Zhaoke，Dai, Ying
     Electrochimica Acta，333,135488,2020

[1] Synthesis of novel cubic Ni₂Mo₃N and its electronic structure regulation by vanadium
     doping towards high-efficient HER electrocatalyst
     Peng Zhou ，Xingshuai Lv，Yugang Gao， Zhong Liang，Zhaoke Zheng，
     Ying Dai， Baibiao Huang
     Electrochimica Acta，337,135689,2020

8*   Robust type-II band alignment in Janus-MoSSe bilayer with
      extremely long carrier lifetime induced by intrinsic electric field
      Chen Long, Ying Dai, Zhi-Rui Gong, Hao Jin.
      Physical Review B，99,115316 2019                                              （高被引）

7*  Metal-Free B@g-CN: Visible/Infrared Light-Driven Single Atom Photocatalyst
     Enables Spontaneous Dinitrogen Reduction to Ammonia
     Xingshuai Lv，Wei Wei，Fengping Li，Baibiao Huang，Ying Dai 
     Nano letters.  19,6391-6399,2019. DOI: 10.1021/acs.nanolett.9b02572

6*  2D materials with intrinsic auxeticity: progress and perspectives

     Rui Peng, Yandong Ma,Qian Wu, Baibiao Huang and Ying Dai
     Nanoscale，11,11413, 2019                                                             ( Invited review)

5*  Direction-Control of Anisotropic Electronic Behaviors via Ferroelasticity
     in Two-Dimensional α-MPI (M = Zr, Hf)
     Ting Zhang, Yandong Ma, Lin Yu, Baibiao Huang,Ying Dai
     Materials Horizons, 6, 1930 - 1937,2019. DOI: 10.1039/c9mh00633h

4*  Achieving high energy density for lithium-ion battery anodes by Si/C nanostructure design
     Xingshuai Lv, Wei, Wei,Huang, Baibiao, Dai, Ying
     Journal of Materials Chemistry A, 7, 2165–2171,2019                          （高被引）

3*   Two-dimensional Janus PtSSe for photocatalytic water splitting 
      under the visible or infrared light. 
     Peng,Rui, Ma,Yandong,Huang,Baibiao,Dai,Ying
     Journal of Materials Chemistry A, 7, 603-610,2019. JAN 14 2019         （高被引）

2*  Polymorph selection towards photocatalytic gaseous CO₂ hydrogenation
     Tingjiang Yan,Lu Wang,Yan Liang,Meysam Makaremi,Thomas E. Wood,Ying Dai,
     Baibiao Huang,Abdinoor A.Jelle,Yuchan Dong,Geoffrey A.Ozin
     Nature Communications，10,2521,2019

1*  Single-Layer Ag₂S: A Two-Dimensional Bidirectional Auxetic Semiconductor 
     Rui Peng,Yandong Ma,Zhonglin He,Baibiao Huang,Liangzhi Kou, and Ying Dai
     Nano Letter,  19(2), 1227–1233, 2019. DOI: 10.1021/acs.nanolett.8b04761 (高被引）

40.  Single-layer LaBr₂: Two-dimensional   valleytronic   semiconductor  with  spontaneous
       spin and valley polarizations 
       Zhao, P., Ma, Y. D.*, Lei, C. A., Wang, H., Huang, B. B., Dai, Y.*
       Applied Physics Letters, 115, 261605,2019. 

39.   Single-Layer Cu₂WS₄ with Promising Electrocatalytic Activity 
        toward Hydrogen Evolution Reaction.
        Wu, Q., Ma, Y. D.*, Peng, R., Huang, B. B., Dai, Y.*
        ACS Appl. Mater. Interfaces, 11, 45818-45824,2019

38.  Enhanced stability and stacking dependent magnetic/electronic properties of
       2D monolayer FeTiO₃ on a Ti₂CO₂ substrate
       Cui Jin, Jing Shang, Xiao Tang, Xin Tan,  Sean C. Smith, Chengwang Niu,
       Ying Dai*  and  Liangzhi Kou  *
       Journal of Materials Chemistry C, 7, 15308-15314,2019

37.  Prediction of Two-Dimensional PC₆ as a Promising Anode Material
       for Potassium-Ion Battery.  
       Dou, K. Y., Ma, Y. D.*, Zhang, T., Huang, B. B., Dai, Y.* 
       Physical Chemistry Chemical Physics. 21, 26212-26218, 2019.

36.  Dual topological insulator and insulator-semimetal transition
       in mirror-symmetric honeycomb materials
       Mao, Ning; Hu, Xiangting; Niu, Chengwang; Huang, Baibiao，Dai, Ying
       Physical Review B, 100（20），205116, 2019

35.  Nonmetal-Atom-Doping-Induced Valley Polarization in Single-Layer Tl₂O
       Xu, Xilong; Ma, Yandong; Zhang, Ting; Chengan Lei，Baibiao Huang，Ying Dai
       Journal of Physical Chemistry Letter, 10(16),4535-4541,2019

34.  Oxygen-terminated BiXenes and derived single atom catalysts for the hydrogen evolution reaction
       Lv, Xingshuai; Wei, Wei; Zhao, Pei; Er, Dequan ; Huang,Baibiao,Dai, Ying; Jacob, Timo.
      Journal of Catalysis,378,97-103, 2019

33.  Monolayer HfTeSe4: A Promising Two-Dimensional Photovoltaic Material
       for Solar Cells with High Efficiency
       Yang, Hongchao; Ma, Yandong; Liang, Yan; Huang, Baibiao; Dai, Ying
       ACS Appl. Mater. Interfaces,11(41),37901-37907, 2019

32.  Single-Layer PtI₂: A Multifunctional Material with Promising Photocatalysis toward the
       Oxygen Evolution Reaction and Negative Poisson's Ratio
       Shen, Shiying,Ma, Yandong,Wang, Hao,Huang, Baibiao, Dai, Ying
        ACS Appl. Mater. Interfaces, 11(35),31793-31798,2019

31.  Janus single-layer group-III monochalcogenides: a promising visible-light photocatalyst
       Yang, Hongchao; Zhao, Pei; Ma, Yandong; Xingshuai Lv, Baibiao Huang and Ying Dai
       Journal of Physics D-Appl.Phys. 52(45),455303, 2019

30.  Two-dimensional ferroelastic topological insulator with tunable topological edge states
        in single-layer ZrAsX (X = Br and Cl)
        Hu, Xiangting; Mao, Ning; Wang, Hao; Chengwang Niu, Baibiao Huang, Ying Dai
       Journal of Materials Chemistry C ,7(31),9743-9747,2019

29.  Broken-Gap Type-III Band Alignment in WTe2/HfS2 van der Waals Heterostructure
       Lei, Chengan; Ma, Yandong; Xu, Xilong; Zhang, Ting; Huang, Baibiao; Dai, Ying
      The Journal of Physical Chemistry C. 123（37）,23089-23095,2019

28.  Propose two-dimensional Sb₂Te₂X (X = S, Se)with isotropic electron mobility
       and remarkable visible-light response
       Yan Liang, Jianwei Li, Hao Jin, Baibiao Huang and Ying Dai
       Physical Chemistry Chemical Physics,21,14904-14910,2019

27.  Room-Temperature Quantum Anomalous Hall Effect in Single-Layer CrP₂S₆,
       Pei Zhao, Yandong Ma, Yandong Hao Wang, Baibiao Huang, Ying Dai
       Journal of Physical Chemistry C,123, 23, 14707, 2019

26.  Robust Two-Dimensional Ferroelectricity in Single-Layer γ-SbP and γ-SbAs
       Shiying Shen, Chang Liu, Yandong Ma, Baibiao Huang and Ying Dai
       Nanoscale,11, 11864-11871, 2019

25.  Computational screening of MX (M = Ga, Ge, Sn, In; X = As, Se) van der Waals
       heterostructures as suitable candidates for solar cells
       Wu, Qian; Wei,Wei; Li, Fengping; Huang, Baibiao; Dai, Ying
      Journal of Physics D-Applied Physics,52,33, 335303,2019

24.  Photocatalytic hydrogen evolution on P-type tetragonal zircon BiVO₄
       Junpeng Wang, Yanan Song, Jing Hu, Yu Li, Zeyan Wang,Ping Yang
       Gang Wang,Qian Ma, Quande Che, Ying Dai,Baibiao Huang
       Applied Catalysis B: Environmental,251,94-101,2019

23. Effect of the intra- and inter-triazine N-vacancies on the photocatalytic hydrogen
      evolution of graphitic carbon nitride
      Huiliang Li, Cui Jin, Zeyan Wang, Yuanyuan Liu, Peng Wang, Zhaoke Zheng,
      Myung-Hwan Whangbo,Liangzhi   Kou,Yingjie Li, Ying Dai, Baibiao Huang
     Chemical Engineering J., 369,263-271, 2019

22. Quantum anomalous Hall effect and gate-controllable topological phase transition
      in layered EuCd2As₂
      Chengwang Niu, Ning Mao, Xiangting Hu, Baibiao Huang, and Ying Dai
      Physical Review B, 99, 235119,2019

21. Multifunctional electrocatalyst PtM with low Pt loading and high activity towards hydrogen
      and oxygen electrode  reactions: A computational study
      Xingshuai Lv，Wei Wei，Hao Wang，Baibiao Huang，Ying Dai
      Applied Catalysis B: Environmental，255（15）,117743,2019

20. Perovskite photocatalyst CsPbBr3-xIx with a bandgap funnel structure for H2 evolution
      under visible light
      ZihanGuan，Yaqiang Wua PengWang，Qianqian Zhang，Zeyan Wang，Zhaoke Zheng，
      Yuanyuan Liu，Ying Dai，Myung-Hwan Whangbo，BaibiaoHuang
      Applied Catalysis B: Environmental，245,15, 522-527, 2019

19. Computational Screening of Defective Group IVA Monochalcogenides as Efficient Catalysts
      for Hydrogen Evolution Reaction
      Qian Wu, Wei Wei, Xingshuai Lv, Baibiao Huang, and Ying Dai
      Journal of Physical Chemistry C, 123(18),11791–11797, 2019

18. GeSe@SnS: Stacked Janus Structures for Overall Water Splitting
      Hongchao Yang, yangdong Ma, Shuai Zhang,a Hao Jin, Baibiao Huang and Ying Dai
      Journal of Materials Chemistry A, 7,12060, 2019

17.  Covalently-terminated germanane GeH and GeCH3 for hydrogen generation
       from catalytic hydrolysis of ammonia borane under visible light irradiation
       Liu, Zhenhua; Dai, Ying; Zheng, Zhaoke; Huang, Baibiao
       Catalysis Communications, 118,46-50, 2019

16. Two-Dimensional Ferroelastic Semiconductors in Single-Layer
      Indium Oxygen Halide InOY (Y=Cl/Br)
      Xilong Xu, Yandong Ma, Baibiao Huang, and Ying Dai
      Physical Chemistry Chemical Physics,21,7440,2019

15. The diverse electronic properties of C/BN heteronanotubes with polar discontinuity
      Wang, Yuanyuan; Wei, Wei; Wang, Hao; Huang, Baibiao; Dai, Ying
      Journal of Physics D: Applied Physics 52, 215302 2019 

14. Enhanced photocatalytic hydrogen evolution of CdWO₄  through
      polar organic molecule modification
      D Xing, Y Liu, P Zhou, Z Wang, P Wang, Z Zheng, X Zhang, X Qin, Y Dai, Baibiao Huang.
      International Journal of Hydrogen Energy, 44(10), 4754-4763, 2019

 13. Metal-Organic Framework/Polythiophene Derivative: Neuronlike S-Doped Carbon 3D Structure
      with Outstanding Sodium Storage Performance
      Zhong, Wen; Lv, Xingshuai; Chen, Qianwu; Ren, Manman*; Liu, Weiliang; Li, Guangda;
      Yu, Jiaoxian; Li, Mei; Dai, Ying*; Wang, Lianzhou*
      ACS Appl. Mater. Interfaces,11(41),37850-37858, 2019

12. Two-Dimensional Penta-BN2 with High Specific Capacity for Li-Ion Batteries.
      Zhang,Ting, Ma,Yandong,Huang,Baibiao,Dai,Ying
      ACS Appl. Mater. Interfaces,11(6), 6104–6110,2019

11. MoSSe nanotube: A promising photocatalyst with extremely long carrier lifetime
      Shuai Zhang, Hao Jin, Chen Long, Tao Wang, Rui Peng, Baibiao Huang, and Ying Dai
     Journal of Materials Chemistry A,7,7885-7890，2019

10. Intrinsic electric Field Induced Properties in Janus MoSSe van der Waals Structures
      Fengping Li, Wei Wei,Hao Wang, Baibiao Huang, Ying Dai, and Timo Jacob
     Journal of Physical Chemistry Letter. 10, 559-565, 2019

9.  Janus Chromium Dichalcogenides Monolayers with Low Carrier Recombination
      for Photocatalytic Overall Water-Splitting under Infrared Light
     Zhao, Pei; Liang, Yan; Ma, Yandong; Huang, Baibiao; Dai, Ying
     Journal of Physical Chemistry C,123 (7), 4186–4192,2019

8.  Semimetallic Si3C as a high capacity anode material for advanced lithium ion batteries
     Dong, Yanru; Wei, Wei; xingshuai Lv;Huang, Baibiao; Dai, Ying
     Applied Surface Science, 479(15), 519-524, 2019

7.  The Mirror Asymmetry Induced Nontrivial Properties of Polar WSSe/MoSSe Heterostructures
      Wang, Yuanyuan; Wei, Wei; Huang, Baibiao; Dai, Ying
     Journal of Physics: Condensed Matter， 31,125003, 2019

6.  Insight into iron group transition metal phosphides (Fe2P, Co2P, Ni2P) for improving
     photocatalytic hydrogen generation
     Zhichao Sun，Mingshan Zhu，Xingshuai Lv，Yingya Liu，Chuan Shi，Ying Dai，
     Anjie Wang，Tetsuro Majima
     Applied Catalysis B: Environmental， 246, 330-336，2019 (合作）

5.  Methyl-terminated germanane GeCH3 synthesized by solvothermal method with
     improved photocatalytic properties
     Liu, Zhenhua; Wang, Zeyan; Sun, Qilong，Dai, Ying, Huang Baibiao
     Applied Surface Science,467，881-888 FEB 15 2019

4.  Functionalized MXenes as ideal electrodes for Janus MoSSe
     Wang, Yuanyuan，Wei，Wei, Huang,Baibiao, Dai,Ying
     Physical Chemistry Chemical Physics,21,70-76,JAN 7 2019

3.  Covalently-terminated germanane GeH and GeCH3 for hydrogen generation from
     catalytic hydrolysis of ammonia borane under visible light irradiation
     Liu, Zhenhua;Dai Ying; Zheng, Zhaoke;Huang, Baibiao
     Catalysis Communications, 118,46-50,JAN 5 2019

2.  A water-stable triazine-based metal-organic framework as an efficient
     adsorbent of Pb(II) ions
     Zhang, Ruoqian; Liu, Yuanyuan; An, Yang; Wang, Zeyan; Wang, Peng;
     Zhen, Zhaok; Qin, Xiaoyan; Zhang, Xiaoyang;Dai, Ying, Huang Baibiao
     Colloids and Surfaces A- Physicochemical and Engineering Aspects, 560, 315-322, 2019

1.  Stabilizing the titanium-based metal organic frameworks in water
     by metal cations with empty or partially-filled d orbitals
     Yang An, Yuanyuan Liu, Zeyan Wang, Peng Wang, Zhaoke Zheng,Ying Dai,
     Xiaoyan Qin,Xiaoyang Zhang,Myung-HwanWhang, Baibiao Huang,
    J Colloid And Interface Science , 533,9-12,JAN 1 2019 

2018年主要论文

*39. Composite of CH3NH3PbI3 with Reduced Graphene Oxide as a Highly Efficient and Stable
       Visible-Light Photocatalyst for Hydrogen Evolution in Aqueous HI Solution
       Wu, Yaqiang; Wang, Peng; Zhu, Xianglin; Zhang, Qianqian;Wang, Zeyan;Liu,Yuanyuan;
       Zou,Guizheng; Dai,Ying，Whangbo, Myung-Hwan;Huang, Baibiao
       ADVANCED MATERIALS, 30(7), 1704342, 2018 （高被引论文）

*38. Two-dimensional III2-VI3 materials: Promising photocatalysts for overall water splitting
       under infrared light spectrum
       Zhao, Pei; Ma, Yandong; Lv, Xingshuai;Lv, Xingshuai; Li, Mengmeng;
       Huang, Baibiao; Dai, Ying
       NANO ENERGY, 51,533-538, 2018 

37. Plasmon-Enhanced Solar Water Splitting on Metal-Semiconductor Photocatalysts, (综述）
      Zheng, Zhaoke ;Xie, Wen;Huang Baibiao, Dai, Ying
      CHEMISTRY-A EUROPEAN JOURNAL,24,69,18322-18333, 2018

36. Step-like band alignment and stacking-dependent band splitting in trilayer TMD heterostructures. 
      Hao Wang, Wei Wei, Fengping Li, Baibiao Huang and Ying Dai
      PHYSICAL CHEMISTRY CHEMICAL PHYSICS,20,25000-25008, 2018

35. Observation of intrinsic dark exciton in Janus-MoSSe heterosturcture induced
      by intrinsic electric field
      Long, Chen; Gong, Zhi-Rui; Jin, Hao; Dai,Ying.
     JOURNAL OF PHYSICS-CONDENSED MATTER,30(39),395001,2018

34. Sulfuration of NiV-layered double hydroxide towards novel supercapacitor
      electrode with enhanced performance
      Peng Zhou, Cong Wang, Yuanyuan Liu , Zeyan Wang,Peng Wang, Xiaoyan Qin,
      Xiaoyang Zhang,Ying Dai, Myung-Hwan Whangbo, Baibiao Huang
      CHEMICAL ENGINEERING JOURNAL,351,119-126, 2018

33. Fabrication of BiVO4 photoanode consisted of mesoporous nanoparticles
      with improved bulk charge separation efficiency
      Zhang, Haipeng; Li, Huiliang; Wang, Zeyan;Zheng, Zhaoke, Wang, Peng,
     Liu, Yuanyuan,Zhang, Xiaoyang, Qin, Xiaoyan ;Dai,Ying;Huang, Baibiao
     APPLIED CATALYSIS B-ENVIRONMENTAL，238,586-591, 2018

32. Synthesis of MoS2/Ni3S2 heterostructure for efficient electrocatalytic
     hydrogen evolution reaction through optimizing the sulfur sources selection
     Liu, Xiaolei; Wang, Peng; Zhang, Qianqian;Baibiao Huang, Zeyan Wang, Yuanyuan Liu,
     Zhaoke Zheng, Ying Dai, Xiaoyan Qin, Xiaoyang Zhang
     APPLIED SURFACE SCIENCE,459,422-429,NOV 30 2018

31.Porous Ag-ZnO microspheres as efficient photocatalyst for methane
      and ethylene oxidation: Insight into the role of Ag particles
     Zhu, Xianglin; Liang, Xizhuang; Wang, Peng; Dai, Ying,Huang, Baibiao.
     APPLIED SURFACE SCIENCE 456, 493-500,2018

30.Two-dimensional ferroelastic topological insulators in single-layer
     Janus transition metal dichalcogenides MSSe(M = Mo, W)
     Ma, Yandong; Kou, Liangzhi; Huang, Baibiao; Ying Dai, Thomas Heine
     PHYSICAL REVIEW B，98，085420，2018

29.Valley Polarization in Janus Single-Layer MoSSe via Magnetic Doping
     Peng, Rui; Ma, Yandong; Zhang, Shuai; Huang Baibiao, Ying Dai.
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS,9(13),3612-3617,2018

28.Group‐IV Monochalcogenides MX (M=Ge, Sn; X=S, Se) as Chemical Anchor
     of Polysulfides for Lithium‐Sulfur Batteries
     Xingshuai Lv， Wei Wei， Hongchao Yang Jinjin Li，Baibiao Huang，Ying Dai
     Chemistry-a European journal，24(43),11193-11199, 2018

27 Two-dimensional GeSe for high performance thin-film solar cells
     Xingshuai Lv, Wei Wei, Cong Mu, Baibiao Huang and Ying Dai
     JOURNAL OF MATERIALS CHEMISTRY A, 2018, 6, 5032-5039

26. Photoexcitation Dynamics in Janus-MoSSe/WSe2 Heterobilayers:
      Ab Initio Time-Domain Study
      Liang, Yan ; Li, Jianwei; Jin, Hao; Huang, Baibiao ; Dai, Ying
     JOURNAL OF PHYSICAL CHEMISTRY LETTERS ，9(11)，2797-2802，2018

25. Unraveling the Mechanism of Photoinduced Charge-Transfer Process
      in Bilayer Heterojunction
     Jin, Hao; Li, Jianwei; Wei, Yadong; Ying Dai, Hong Guo .
     ACS APPLIED MATERIALS & INTERFACES,10(30),25401-25408,2018

24. Two transition metal phosphonate photocatalysts for H2 evolution and CO2 reduction
     Jiajia Wang, Ruoqian Zhang, Yuanyuan Liu, Zeyan Wang, Peng Wang, Zhaoke Zheng,
     Xiaoyan Qin, Xiaoyang Zhang, Ying Dai and Baibiao Huang
     CHEMICAL COMMUNICATIONS, 54(52) 7195-7198,2018

23. Intense Single Red Emission Induced by Near-Infrared Irradiation Using
       a Narrow Bandgap Oxide BiVO4 as the Host for Yb3+ and Tm3+ Ions
      Huang, Huining; Wang, Zeyan; Huang, Baibiao; Peng Wang,Xiaoyang Zhang,
      Xiaoyan Qin,,Ying Dai,,Guangjun Zhou,,Myung‐Hwan Whangbo
      Advanced Optical Materials, 6(15),1701331,2018

22. Co₃O₄ nanobelt arrays assembled with ultrathin nanosheets as highly efficient and
      stable electrocatalysts for the chlorine evolution reaction
     Zhu, Xianglin; Wang, Peng; Wang, Zeyan; Yuanyuan Liu,Zhaoke Zheng,
     Qianqian Zhang, Xiaoyang Zhang, Ying Dai, Myung-Hwan Whangbo,and Baibiao Huang
    JOURNAL OF MATERIALS CHEMISTRY A,6,26,12718-12723,2018

21. Ideal inert substrates for planar antimonene: h-BN and hydrogenated SiC(0001)
     Shuai Zhang，Yandong Ma，Rui Peng,Baibiao Huang and Ying Dai
     Physical Chemistry Chemical Physics, 20,23397-23402,2018

20. Endotaxial Growth of [100]-Oriented TaON Films on LiTaO3 Single Crystals for
      Enhanced Photoelectrochemical Water Splitting
      Huiliang Li, Bo Zhang, Zeyan Wang, Peng Wang, Yuanyuan Liu, Xiaoyang Zhang,
      Xiaoyan Qin, Ying Dai, Myung-Hwan Whangbo, and Baibiao Huang
     SOLAR RRL,2,6,1700243, 2018

19. Modified MXene: promising electrode materials for constructing Ohmic contacts
      with MoS2 for electronic device applications
      Zhao, Pei; Jin, Hao; Lv, Xingshuai; Huang, baibiao Ma,Yandong Dai, Ying
      PHYSICAL CHEMISTRY CHEMICAL PHYSICS,20(24),16551-16557,2018

18. Synthesis of synergetic phosphorus and cyano groups (-C equivalent to N)
      modified g-C3N4 for enhanced photocatalytic H-2 production and CO2 reduction
      under visible light irradiation
      Liu, Xiaolei Wang, Peng ; Zhai, Huishan; Zhang, Qianqian; Huang, Baibiao Wang, Zeyan;
      Liu, Yuanyuan; Dai, Ying; Qin, Xiaoyan ,Zhang, Xiaoyang
      APPLIED CATALYSIS B-ENVIRONMENTAL 232, 521-530，2018

17. Fabrication of carbon bridged g-C3N4 through supramolecular self-assembly
      for enhanced photocatalytic hydrogen evolution
      Li, Huiliang; Li, Fengping ; Wang, Zeyan; Jiao, Yachen ; Liu, Yuanyuan; Wang, Peng ;
      Zhang, Xiaoyang ; Qin, Xiaoyan; Dai, Ying ; Huang, Baibiao
      APPLIED CATALYSIS B-ENVIRONMENTAL, 229,114-120,2018

16. Efficient photocatalytic H-2 production via rational design of synergistic
      spatially-separated dual cocatalysts modified Mn0.5Cd0.5S photocatalyst
      under visible light irradiation
      Liu, Xiaolei，Liu, Qi， Wang, Peng; Liu, Yuzi; Huang, Baibiao; Rozhkova, Elena A.;
      Zhang, Qianqian ; Wang, Zeyan ; Dai, Ying; Lu, Jun
      CHEMICAL ENGINEERING JOURNAL，337，480-487，2018

15. Promising Photocatalysts for Water Splitting in BeN2 and MgN2 Monolayers
      Wei, Yining, Ma, Yandong, Wei, Wei,Li, Mengmeng,Huang, Baibiao, Dai, Ying
      JOURNAL OF PHYSICAL CHEMISTRY C,122,(15),8102-8108,2018

14. A Comprehensive Study of Electronic and Photocatalytic Properties in Monolayer,
      Double-layer and Bulk Bi2WO6
      Mengmeng Li, Ying Dai, Wei Wei and Baibiao Huang
      Physical Chemistry Chemical Physics, 20,9221-9227, 2018

13. Tl2S: Metal-Shrouded Two-Dimensional Semiconductor
      Shiying Shen, Yan Liang, Yandong Ma, Baibiao Huang, Wei Wei, Ying Dai
      Physical Chemistry Chemical Physics, 2018, 20, 14778 - 14784

12. Designing lateral spintronic devices with giant tunnel magnetoresistance and perfect spin
      injection efficiency based on transition metal dichalcogenides
      Pei Zhao, Jianwei Li, Hao Jin,Lin Yu, Baibiao Huang and Dai Ying，
      Physical Chemistry Chemical Physics, 2018, 20,10286

11. Novel titanium nitride halide TiNX (X = F, Cl, Br) monolayers: potential materials for
      highly efficient excitonic solar cells
      Liang,Yan，Dai,Ying，Ma，Yandong，Ju, Lin，Wei, Wei，Huang, Baibiao
     JOURNAL OF MATERIALS CHEMISTRY A，6（5）2073-2080, 2018

10. A theoretical study on the electronic properties of in-plane CdS/ZnSe heterostructures:
      type-II band alignment for water splitting
      Hongchao Yang, Jinjin Li, Lin Yu, Baibiao Huang, Yandong Ma and Ying Dai
      JOURNAL OF MATERIALS CHEMISTRY A 2018, 6, 4161–4166

9. Porous Ag-ZnO microspheres as efficient photocatalyst for methane and
    ethylene oxidation: Insight into the role of Ag particles
    Zhu, Xianglin; Liang, Xizhuang; Wang, Peng; Ying Dai, Baibiao Huang.?
    APPLIED SURFACE SCIENCE 456,493-500,2018

8. Conduction-band valley spin splitting in single-layer H-Tl2O
    Ma, Yandong，Kou, Liangzhi，Du, Aijun，Huang, Baibiao，Dai, Ying; Heine, Thomas
    PHYSICAL REVIEW B，97（3）,035444,2018

7. Adsorption of gaseous ethylene via induced polarization on plasmonic
    photocatalyst Ag/AgCl/TiO2 and subsequent photodegradation
    Liang, Xizhuang;Wang, Peng;Li, Mengmeng;Zhang, Qianqian;Wang, Zeyan;Dai, Ying;
    Zhang, Xiaoyang;Liu,    Yuanyuan;Whangbo, Myung-Hwan;Huang, Baibiao
    APPLIED CATALYSIS B-ENVIRONMENTAL 220，356-361，2018

6. Tunable Schottky contacts in MSe2/NbSe2 (M = Mo and W) heterostructures and
     promising application potential in field-effect transistors
    Lv, Xingshuai，Wei, Wei，Zhao, Pei，Li, Jinjin，Huang, Baibiao，Dai, Ying
    Physical Chemistry Chemical Physics, 2018, 20（3）,1897-1903,2018

5. One-dimensional cadmium sulphide nanotube for photocatalytic water splitting
    Ju, Lin，Dai, Ying，Wei, Wei，Li, Mengmeng，Liang, Yan，Huang, Baibiao
    Physical Chemistry Chemical Physics, 2018, 20, 1904 – 1913，2018

4. Electronic structure engineering in silicene via atom substitution and
    a new two-dimensional Dirac structure Si3C
   Na Yin, Ying Dai,Wei Wei， BaiBiao Huang
   PHYSICA E,98,39-44,2018

3. DFT investigation on two-dimensional GeS/WS2 van der Waals heterostructure
    for direct Z-scheme photocatalytic overall water splitting
    Lin Ju， Ying Dai，Wei Wei,Mengmeng Li, Baibiao Huang
    Applied Surface Science，434,365-374,2018

2. Theoretical study on the photocatalytic properties of graphene oxide with single Au atom adsorption
    Lin Ju Ying Dai,WeiWei, Mengmeng Li Cui Jin Baibiao Huang
   Surface Science， 669, 71-78，2018

1. Electronic structure and optical properties of Ag-MoS2 composite systems
    Yang, HC; Wei, W ，Mu, C，Sun, QL ，Huang, BB，Dai, Y
    J PHYSICS D，51（8）,085303,2018

*36. Ni II Coordination to Al-Based Metal-Organic Framework Made from 2-Aminoterephthalate for Photocatalytic Overall Water Splitting
Yang An,Yuanyuan Liu,Pengfei An, Juncai Dong,Benyan Xu, Ying Dai, Xiaoyan Qin, Xiaoyang Zhang,Myung-Hwan Whangbo,and Baibiao Huang
Angew. Chem. Int. Ed. 56, 3036 –3040，2017

35. Electronic and Optical Properties of Pristine and Vertical and Lateral Heterostructures of Janus MoSSe and WSSe
Fengping Li, Wei Wei, Pei Zhao, Baibiao Huang, and Ying Dai
J. Phys. Chem. Lett.  8(23), 5959,2017 （高被引论文）

34. Two Dimensional Square Transition Metal Dichalcogenides Lateral Heterostructure
Qilong Sun, Ying Dai, Na Yin, Lin Yu, Yandong Ma, Wei Wei, and Baibiao Huang
Nano Research, 10（11）3909-3919，2017

33. Hydrogenation of silicene on Ag(111) and formation of half-silicane
Wei, Wei; Dai, Ying ; Huang, Baibiao
Journal of Materials Chemistry A， 5（34），18128-18137,2017

32. Giant anisotropic photogalvanic effect in flexible AsSb monolayer with ultrahigh carrier mobility
Pei Zhao, Jianwei Li,Wei Wei, Qilong Sun, Hao Jin, Baibiao Huang and Ying Dai.
Physical Chemistry Chemical Physics, 19, 27233-27239，2017

31. Evolution of the linear band dispersion of monolayer and bilayer germanene on Cu(111)
Fengping Li, Wei Wei,Xingshuai Lv, Baibiao Huang and Ying Dai
Physical Chemistry Chemical Physics，19,22844-22851，2017

30. Precisely locate Pd-Polypyrrole on TiO2 for enhanced hydrogen production
Li, Xin，Wang, Peng，Huang, Baibiao，Qin, Xiaoyan， Zhang, Xiaoyang，
Zhang, Qianqian，Zhu, Xianglin，Dai, Ying，
INT.J.Hydrogen Energy，42，40 25195-25202，2017

29. Design of new photovoltaic systems based on two-dimensional group-IV monochalcogenides for highperformance solar cells
Pei Zhao, Hongchao Yang, Jianwei Li, Hao Jin, Wei Wei, Lin Yu, Baibiao Huang and Ying Dai
Journal of Materials Chemistry A,2017 (5), 24145

28. Doping strategy to promote the charge separation in BiVO4 photoanodes
Bo Zhang, Haipeng Zhang, Zeyan Wang, Xiaoyang Zhang, Xiaoyan Qin, Ying Dai ,Yuanyuan Liu, Peng Wang Yingjie Li, Baibiao Huang
Applied Catalysis B: Environmental，211,258–265 ,2017

27. Photocatalytic reduction of CO2 to methanol by three-dimensional hollow structures of Bi2WO6 quantum dots
Jiang Zaiyong,Liang Xizhuang,Zheng Hailong, Liu Yuanyuan,Wang Zeyan，Wang Peng,Zhang Xiaoyang,Qin Xiaoyan,Dai Ying ,Whangbo Myung-Hwan
Applied Catalysis B: Environmental，219,209-215，2017

26. Enhancing Charge Separation in Photocatalysts with Internal Polar Electric Fields
Zaizhu Lou, Peng Wang, Baibiao Huang, Ying Dai, Xiaoyan Qin, Xiaoyang Zhang,Zeyan Wang, Yuanyuan Liu
ChemPhotoChem 2017, 1, 136 – 147

25. Effects of single metal atom (Pt, Pd, Rh and Ru) adsorption on thephotocatalytic properties of anatase TiO2
Cui Jin, Ying Dai , Wei Wei, Xiangchao Ma, Mengmeng Li, Baibiao Huang
Applied Surface Science 426 (2017) 639–646.

24. CdS–MoS2 heterostructures on Mo substrates via in situ sulfurization for efficient photoelectrochemical hydrogen generation
Xianglin Zhu,Peng Wang,Qianqian Zhang,Zeyan Wang,Yuanyuan Liu, Xiaoyan Qin,Xiaoyang Zhang,
Ying Dai, Baibiao Huang
RSC Adv., 2017, 7, 44626–44631

23. Novel high-efficiency visible-light responsive Ag4（GeO4) photocatalyst
Xianglin Zhu, Peng Wang, Mengmeng Li, Qianqian Zhang, Elena A. Rozhkova,
Xiaoyan Qin, Xiaoyang Zhang, Ying Dai, Zeyan Wang, Baibiao Huang
Catal. Sci. Technol., 2017, 7, 2318–2324

22. MoTe2 is a good match for GeI by preserving quantum spin Hall phase
Xinru Li,Ying Dai,Chengwang Niu,Yandong Ma,Wei Wei, Baibiao Huang
Nano Research. 10(8), 2823-2832,2017

21. Two-dimensional germanium monochalcogenides for photocatalytic water splitting with high carrier mobility
Xingshuai lv， Wei Wei, Qilong Sun, Fengping Li, Baibiao Huang, Ying Dai
Applied Catalysis B: Environmental 217,271-284，2017

20. Enhancing visible light photocatalytic degradation performance and bactericidal activity of BiOI via ultrathin-layer structure
Jiang, Zaiyong; Liang, Xizhuang; Liu, Yuanyuan ; Jing, Tao ; Wang, Zeyan; Zhang, Xiaoyang ;
Qin, Xiaoyan ; Dai, Ying ; Huang, Baibiao
Applied Catalysis B: Environmental,211,252-257,2017

19. Novel high-efficiency visible-light responsive Ag-4(GeO4) photocatalyst
Zhu, XL Wang, P ; Li, MM; Zhang, QQ ; Rozhkova, EA; Qin, XY; Zhang, XY ; Dai, Y ;
Wang, ZY; Huang, BB
Catalysis Science & Technology, 7 （11）2318-2324，2017

18. Enhancing the photocatalytic activity of BiOX (X = Cl, Br, I), (BiO)2CO3 and Bi2O3 by modifying their surfaces with polar organic anions, 4-substituted thiophenolates
Benyan Xu,Yang An Yuanyuan Liu, Xiaoyan Qin， Xiaoyang Zhang Ying Dai, Zeyan Wang,
Peng Wang, Myung-Hwan Whangboand Baibiao Huang
Journal of Materials Chemistry A, 5(27)，14406-14414，2017

17. Ohmic Contact in Monolayer InSe-metal Interface
Jin, Hao; Li, Jianwei; Wan, Langhui; Dai, Ying; Wei, Yadong; Guo, Hong
2D mater. 4(2):025116 ，2017

16. Sc2C as a promising anode material with high mobility and capacity: a first-principles study
Xingshuai Lv, Wei Wei, Qilong Sun, Lin Yu, Baibiao Huang, Ying Dai
ChemPhysChem. 18(12), 1627-1634,2017

15. A first-principles study of NbSe2 monolayer as anode materials for rechargeable Lithium-ion
and Sodium-ion batteries
Lv, Xingshuai; Wei, Wei; Sun, Qilong; Huang, Baibiao; Dai, Ying
J. Phys. D: Appl. Phys. 50 (2017) 235501

14. Landscape of DNA-like Inorganic Metal-free Double Helical Semiconductors and Potential Applications in Photocatalytic Water Splitting
Xinru Li, Ying Dai, Yandong Ma, Mengmeng Li, Lin Yu, Baibiao Huang
Journal of Materials Chemistry A, 5，8484，2017

13. In-Plane Heterostructures of Sb/Bi with High Carrier Mobility
Pei Zhao, Wei Wei, Qilong Sun, Lin Yu, Baibiao Huang and Ying Dai
Nanotechnology 28 255201(2017)

12. 固溶体光催化材料的研究进展   (Invited review)
荆涛 戴瑛
物理化学学报，33 (2), 295-304，2017

11. Effect of the structure distortion on the high photocatalytic performance of C60/g-C3N4 composite
Xiaojuan Ma, Xinru Li, Mengmeng Li, Xiangchao Ma, Lin Yu, ,Ying Dai
Applied Surface Science，414,124-130,2017

10. Prediction of Single-Wall Boron Nanotube Structures and the Effects of Hydrogenation
Fengping Li, Wei Wei, Qilong Sun, Lin Yu, Baibiao Huang, and Ying Dai
J. Phys. Chem. C，121 (10),  5841–5847,2017

9. Robust dual topological character with spin-valley polarization in a monolayer
of the Dirac semimetal Na3Bi
Niu, Chengwang; Buhl, Patrick M; Bihlmayer, Gustav; Wortmann, Daniel; Dai, Ying ; Bluegel, Stefan ;
Mokrousov, Yuriy
Phys. Rev. B，95,7,075404,2017

8. Interface effects between germanene and Au(111) from first principles
Fengping Li, Wei Wei, Lin Yu, Baibiao Huang and Ying Dai
J. Phys. D: Appl. Phys. 50,115301,2017

7. Lateral topological crystalline insulator heterostructure
Qilong Sun, Ying Dai, Chengwang Niu, Yandong Ma, Wei Wei, Lin Yu and Baibiao Huang
2D Mater. 4,02503 ,2017

6. Insights into the Effect of Inner Polarization and Multiple Ag-O units on High-efficient Ag-Based Photocatalyst
Mengmeng Li, Ying Dai,Xiangchao Ma, Tao Jing, Baibiao Huang
Applied Catalysis B: Environmental Vol.205, 211-218,2017

5. Modulation of silicene properties by AsSb with van der Waals interaction
Jin, C Dai, Y Wei, W Sun, QL; Li, XR Huang, BB
RSC ADV , 7(10) 5827-5835,2017

4. Highly efficient and noble metal-free NiS modified MnxCd1-xS solid solutions with enhanced photocatalytic activity for hydrogen evolution under visible light irradiation
Xiaolei Liu, Xizhuang Liang,Peng Wang,Baibiao Huang, Xiaoyan Qin, Xiaoyang Zhang, Ying Dai
Applied Catalysis B: Environmental Vol.203, 282-288,2017

3. Straintronics in two-dimensional, in-plane Heterostructures of transition-metal dichalcogenides
Wei Wei, Ying Dai,* and Baibiao Huang
Phys.Chem.Chem.Phys.，19（1），663-673,2017

2. Oxygen vacancies at the Au/SrTiO3(001) interface: stabilities, electronic properties
and effect on photocatalysis
Ma Xiangchao, Dai Ying, Li Mengmeng, Huang Baibiao
Phys.Chem.Chem.Phys.，19(1),774-781,2017

1. Enhancing visible light photocatalytic activity of TiO2 using a colorless molecule (2-methoxyethanol)
due to hydrogen bond effect
Zaiyong Jiang, Yuanyuan Liu,Tao Jing, Baibiao Huang, Zeyan Wang, Xiaoyang Zhang, 
Xiaoyan Qin, Ying Dai
Applied Catalysis B: Environmental, 200, 230–236,2017

*27. Energy transfer in plasmonic photocatalytic composites
Xiangchao Ma, Ying Dai, Lin Yu, Baibiao Huang
Light: Science & Applications , 5, e16017, 2016  (高被引论文）

*26.  Ab Initio Prediction and Characterization of Mo2C Monolayer as
Anodes for Lithium-Ion and Sodium-Ion Batteries
Qilong Sun, Ying Dai, Yandong Ma, Tao Jing, Wei Wei and Baibiao Huang
J Physical Chemistry Letter, 7, pp 937–943，2016 ,物理化学研究亮点  (高被引论文）

25. Giant Spin-Orbit Coupling topological insulator h-Ga2Bi2 with exotic O bridge states
Liu Q, Dai Y, Li X, Ma Y, Ma X, Huang B.
Nanoscale, 7;8(45):19066-19074，2016.

24. Large gap Quantum Spin Hall Insulators of nested Hexagonal III-Bi monolayer
Qunqun Liu, Ying Dai, Yandong Ma, Xinru Li, Tiejun Li, Chengwang Niu & Baibiao Huang
Sci Rep. 6，34861, 2016,

23. Exotic quantum spin Hall effect and anisotropic spin splitting in carbon based TMC6(TM=Mo, W) kagome monolayers
Xinru Li,Ying Dai,Yandong Ma，Qilong Sun,Wei Wei,Baibiao Huang
Carbon，2016，109， 788–794

22. Anisotropic Photoelectrochemical (PEC) Performances of ZnO Single-Crystalline Photoanode: Effect of Internal Electrostatic Fields on the Separation of Photogenerated Charge Carriers during PEC Water Splitting
Bo Zhang，Zeyan Wang,Baibiao Huang,Xiaoyang Zhang,Xiaoyan Qin,Huiliang Li,Ying Dai, and Yingjie Li
Chem. Mater，2016， 28 (18), 6613–6620.

21. Synthesis of novel visible light response Ag10Si4O13 photocatalyst
Zhu, Xianglin; Wang, Peng; Huang, Baibiao,Ma,Xiangchao,Qin Xiaoyan, Zhang Xiaoyang,Dai,Ying
Appled catalysis B-Environmental, 199 ,315-322, 2016

20. Hybridization Effects between Silicene/Silicene Oxides and Ag(111)
Wei Wei, Ying Dai and Baibiao Huang
J. Phys. Chem. C,2016,120 (36), pp 20192–20198

19. Hydrogen Doped Metal Oxide Semiconductors with Exceptional and Tunable Localized Surface Plasmon Resonances
Hefeng Cheng, Meicheng Wen, Xiangchao Ma, Yasutaka Kuwahara, Kohsuke Mori, Ying Dai, Baibiao Huang, Hiromi Yamashita
J. Am. Chem. Soc. , 138 (29), 9316–9324 ,2016

18. Enhanced photocatalytic and photoelectrochemical activities of reduced TiO2-x/BiOCl heterojunctions
Fu, Rongrong; Zeng, Xiaoqiao; Ma, Lu; Shanmin Gao,Qingyao Wang, Zeyan Wang, Baibiao Huang, Ying Dai, Jun Lu
J of Power Sources, 312, 12-22, 2016,

17. Ultrasonic-assisted pyrolyzation fabrication of reduced SnO2-x/g-C3N4 heterojunctions: Enhance photoelectrochemical and photocatalytic activity under visible LED light irradiation
Li, Kai; Zeng, Xiaoqiao; Gao, Shanmin; Ma, Lu; Wang, Qingyao; Xu, Hui; Wang, Zeyan ; Huang, Baibiao; Dai, Ying ; Lu, Jun
Nano Research vol. 9( 7) , 1969-1982, 2016

16. Room Temperature Quantum Spin Hall States in Two-Dimensional Crystals Composed of Pentagonal Rings and Their Quantum Wells
Yandong Ma, Liangzhi Kou, Xiao Li, Ying Dai, and Thomas Heine
NPG Asia Materials 8, e264, 2016 ,

15. Two-dimensional topological insulators in group-11 chalcogenide compounds: M2Te (M = Cu, Ag)
Ma, Yandong; Kou, Liangzhi; Dai, Ying; Heine, Thomas
Phys.Rev.B 93(23), 235451, 2016

14. In-plane interfacing effects of two-dimensional transition-metal dichalcogenide heterostructures
Wei, Wei; Dai, Ying; Huang, Baibiao
PhysChemChemPhys 18（23）,15632-15638,2016

13. Electron–Rotor Interaction in Organic–Inorganic Lead Iodide Perovskites Discovered by Isotope Effects
Jue Gong, Mengjin Yang, Xiangchao Ma, Richard D. Schaller, Gang Liu, Lingping Kong, Ye Yang, Matthew C. Beard, Michael Lesslie, Ying Dai, Baibiao Huang, Kai Zhu and Tao Xu
J. Phys. Chem. Lett.,7, 2879–2887,2016

12. Design of Advanced Photocatalysis System by Adatom Decoration in 2D Nanosheets of Group-IV and III-V Binary Compound
Jin, Hao，Dai,Ying，Huang, Bai-Biao
Sci. Rep.，2016.3.17，6 

11. One-Pot Solvothermal Synthesis of Bi4V2O11 as A New Solar Water Oxidation Photocatalyst
Jiang Z, Liu Y, Li M, Jing T, Huang B, Zhang X, Qin X, Dai Y
Sci Rep，6:22727，2016

10. Enhancing the Photocatalytic Activity of BiVO4 for Oxygen Evolution by Ce Doping: Ce3+ Ions as Hole Traps
Jiang, Zaiyong; Liu, Yuanyuan; Jing, Tao; Baibiao Huang, Xiaoyang Zhang, Xiaoyan Qin, Ying Dai, and Myung-Hwan Whangbo
J of Physical Chemistry C, 120,2058-2063,2016

9. Photoelectrical, photophysical and photocatalytic properties of Al based MOFs: MIL-53(Al) and MIL-53-NH2(Al)
Yang An，Huiliang Li Yuanyuan Liu , Baibiao Huang, Qilong Sun, Ying Dai, Xiaoyan Qin, Xiaoyang Zhang
J of Solid State Chem. 233,194-198, 2016.

8. A bismuth based layer structured organic inorganic hybrid material with enhanced photocatalytic activity
Yuanyuan Liu; Guanzhi Wang; Juncai Dong; Yang An; Xiaoyan Qin; Xiaoyang Zhang; Ying Dai
J of Coll Interf Sci,469, 231-236,2016

7. Interface Schottky barrier engineering via strain in metal–semiconductor composite
Xiangchao Ma Ying Dai, Lin Yu, and Baibiao Huang
Nanoscale, 2016, 8, 1352-1359 (封面)

6. Two-dimensional transition metal dichalcogenides with a hexagonal lattice: Room-temperature quantum spin Hall insulators
Yandong Ma, Liangzhi Kou, Xiao Li, Ying Dai, and Thomas Heine
Phys.Rev.B 93(3), 035442, 2016

5. Valence state heterojunction Mn3O4/MnCO3: Photo and thermalsynergistic catalyst
Gang Wang, Baibiao Huang, Zaizhu Lou, Zeyan Wang, Xiaoyan Qin,Xiaoyang Zhang, Ying Dai
Applied Catalysis B: Environmental 180，6–12 ，2016

4. Design of lateral heterostructure from arsenene and antimonene
Qilong Sun,Ying Dai,Yandong Ma,Na Yin,Wei Wei,Lin Yu and Baibiao Huang
2D Materials，3，035017， 2016

3. The Photocatalytic Properties of Ultrathin Bismuth Oxychloride Nanosheets: a First Principles Study
Tao Jing, Ying Dai,Xiangchao Ma, Wei Wei, Baibiao Huang 
PhysChemChemPhys, 2016,18, 7261-7268

2. Preparation of Ti3+ Self-Doped TiO₂(A)/TiO₂(R)/In₂O₃ Nanoheterojunctions with Enhanced Visible-Light-Driven Photocatalytic Properties
Liu Bing; Fu Rong-Rong; Gao Shan-Min;
Chin J Of Inorg Chem. 32 , 223-232, 2016

1. 拓展光催化材料光谱响应的研究进展  (Invited review) 
荆　涛，戴　瑛，马晓娟，黄柏标
中国光学，９（1），２０１６年２月
Chinese Optics, 9(1), 1-15, 2016

1. Electronic Structure and Photocatalytic Splitting Water Properties of Ag2ZnSn(S1-xSex)4"
Jing, Tao; Dai, Ying; Ma, Xiangchao; Wei, Wei; Huang, Baibiao
Journal of Physical Chemistry C, 119 (50), 27900–27908，2015

2. Stable Si-based Pentagonal Monolayes: High Carrier Mobilities and Applications in Photocatalytic Water Splitting
Xinru Li, Ying Dai, Mengmeng Li Wei Wei and Baibiao Huang
Journal of Materials Chemistry A，3，24055 – 24063，2015

3. Controlling the Electronic Structures and Properties of in-Plane Transition-Metal Dichalcogenides Quantum Wells
Wei wei, Ying Dai, Chengwang Niu, Baibiao Huang
Sci Rep. 5，17578，2015.

4. Electronic Properties of Two-Dimensional Van der Waals GaS/GaSe Heterostructures
Wei Wei, Ying Dai,* Chengwang Niu, Xiao Li, Yandong Ma and Baibiao Huang
Journal of Materials Chemistry C. 2015, 3, 11548-11554

5. Ideal Spintronics in Molecule-based Novel One-Dimensional Organometallic Nanowires
Qilong Sun, Ying Dai, Yandong Ma, Wei Wei, Lin Yu and Baibiao Huang
Sci.Rep. 2015， 5，12772

6. Electronic structures of in-plane two-dimensional transition-metal dichalcogenides heterostructures
Wei Wei, Ying Dai, Qilong Sun, Na Yin, Sheng-hao Han, Baibiao Huang and Timo Jacob
Phys Chem Chem Phys, 17, 29380-29386 2015

7. Prediction of large-gap quantum spin hall insulator and rashba-dresselhaus effect in two-dimensional g-TlA (A = N, P, As, and Sb) monolayer films
Xinru Li, Ying Dai, Yandong Ma, Wei Wei , Lin Yu, Baibiao Huang
Nano Research, 2015，8（9），2954-2962 , 2015

8. Quantum spin Hall effect and topological phase transition in two-dimensional square transition-metal dichalcogenides
Ma, YD; Kou, LZ; Li, X; Dai, Y; Smith, SC ; Heine, T
Phys. Rev. B 92, 085427 ,2015

9. Synthesis of Ag9(SiO4)2NO3 through a reactive flux method and its visible-light photocatalytic performances
Xianglin Zhu1, Zeyan Wang,Baibiao Huang, Wei Wei, Ying Dai, Xiaoyang Zhang and Xiaoyan Qin
APL Mat. 3, 104413,2015;

10. Vertical and Bidirectional Heterostructures from Graphyne and MSe2 (M = Mo, W)
Qilong Sun, Ying Dai , Yandong Ma, Wei Wei, and Baibiao Huang
J. Phys. Chem. Lett., 6, 2694–2701，2015

11. The Synergistic Effect between Effective Mass and Built-in Electric Field for the Transfer of Carriers in Nonlinear Optical Materials
Mengmeng Li，Ying Dai， Xiangchao Ma, Zhujie Li and Baibiao Huang
Phys Chem Chem Phys，17, 17710 – 17717, 2015

12. Two-Dimensional Metalloporphyrin Monolayers with intriguing electronic and spintronic properties
Qilong Sun, Ying Dai, Yandong Ma, Xinru Li, Wei Wei and Baibiao Huang
J Mater. Chem. C. 3, 6901 – 6907,2015

13. Density Functional Characterization of the Electronic Structures and Band Bending of Rutile RuO2/TiO2 (110) Heterostructures
Wei, Wei; Dai, Ying; Huang, Baibiao; Li, Xiaoke; Nagele, Florian; Over, Herbert; Whangbo, Myung-Hwan; Jacob, Timo
J Phys. Chem.C, 119 (22), pp 12394–12399, 2015

14. Enhancement of photocatalytic activity of two-dimensional GeH/graphene heterobilayer under visible light
Hao Jin, Ying Dai, Xiang-Chao Ma, Lin Yu, Wei Wei ?and Bai-Biao Huang
RSC Adv., ,5, 52264-52268，2015

15. Two-dimensional inversion-asymmetric topological insulators in functionalized III-Bi bilayers
Yandong Ma, Xiao Li, Liangzhi Kou, Binghai Yan, Chengwang Niu, Ying Dai, and Thomas Heine
Phys. Rev. B，91, 235306, 2015

16. Effects of intrinsic defects and extrinsic doping on the electronic and photocatalytic properties of Ta3N5
Tao Jing, Ying Dai, Xiangchao Ma, Wei Wei and Baibiao Huang
RSC Advances， 5，59390 – 59397，2015

17. One-Step Synthesis of Amorphous Silver Silicates with Tunable Light Absorption Spectra and Photocatalytic Activities in the Visible Region
Zaizhu Lou,Zeyan Wang, Baibiao Huang, Ying Dai,Gang Wang, Zaiyong Jiang,Xiaoyang Zhang, Xiaoyan Qin and, Yanqing Li
Chem. Eur. J,21（24），8706–8710， 2015

18. Enhancing the Efficiency of Water Oxidation by Boron-Doped BiVO4 under Visible Light: Hole Trapping by BO4 Tetrahedra
Li, Yanqing; Jing, Tao; Liu, Yuanyuan; Huang, Baibiao; Dai, Ying ; Zhang, Xiaoyang; Qin, Xiaoyan ; Whangbo, Myung-Hwan
CHEMPLUSCHEM，80（7），1113-1118，2015

19. One-pot solvothermal synthesis of S doped BiOCl for solar water oxidation
Zaiyong Jiang, Yuanyuan Liu, Tao Jing, Baibiao Huang, Zeyan Wang, Xiaoyang Zhang, Xiaoyan Qin, Ying Dai
RSC Advances 5, 47261-47264，2015

20. Synthesis of BiOBr-PVP hybrids with enhanced adsorption-photocatalytic properties
Yanqing Li, Zeyan Wang,Baibiao Huang,Ying Dai,Xiaoyang Zhang,Xiaoyan Qin
Appl. Surf. Sci., 347, P258–264，2015

21. Insights into How Fluorine-Adsorption and n-Type Doping Affect the Relative Stability of the (001) and (101) Surfaces of TiO2: Enhancing the Exposure of More Active but Thermodynamically Less Stable (001)
Xiangchao Ma, Ying Dai, Wei Wei, Baibiao Huang, and Myung-Hwan Whangbo
J Phys. Chem. Lett. 6, pp 1876–1882，2015

22. Lateral heterojunctions within monolayer h-BN/Graphene: a First-principles study
Qilong Sun, Y. Dai, Y. Ma, W. Wei and B. Huang
RSC Advances, 5, 33037-33043, 2015

23. Loss of Linear Band Dispersion and Trigonal Structure in Silicene on Ir(111)
Wei, Wei; Dai, Ying; Huang, Baibiao; Whangbo, Mike; Jacob, Timo
J Phys. Chem. Lett. 6 (6), pp 1065–1070,2015

24. Effect of different processes and Ti/Zn molar ratios on the structure, morphology, and enhanced photoelectrochemical and photocatalytic performance of Ti3+?self-doped titanium–zinc hybrid oxides
Rongrong Fu,Qingyao Wang,Shanmin Gao,Zeyan Wang,Baibiao Huang,Ying Dai,Jun Lu
Journal of Power Sources , 285, 449–459,2015

25. In-Situ-Reduced Synthesis of Ti(3+) Self-Doped TiO2/g-C3N4 Heterojunctions with High Photocatalytic Performance under LED Light Irradiation.
Li K, Gao S, Wang Q, Xu H, Wang Z, Huang B, Dai Y, Lu J
ACS Appl Mater Interf., 7(17),9023, 2015

26. Robust Two-Dimensional Topological Insulators in Methyl-Functionalized Bismuth, Antimony, and Lead Bilayer Films
Yandong Ma, Ying Dai, Liangzhi Kou, Thomas Frauenheim, and Thomas Heine
Nano Lett.,15 (2), pp 1083–1089,2015 

27. Hydrothermal synthesis of C3N4/BiOIO3 heterostructures with enhanced photocatalytic properties
Wang, WJ； Cheng, HF; Huang, BB ; Liu, XL ; Qin, XY; Zhang, XY; Dai, Y
J Colloid and Interf. Sci, 442，97-102， 2015

28. Intriguing Structural and Electronic Properties of Two-dimensional MoS2/TM2CO2? (TM = Ti, Zr, or Hf) Hetero-bilayers: type-II semiconductors with tunable band gaps
Xinru Li, Ying Dai, Yandong Ma, Qunqun Liu and Baibiao Huang
Nnanotechnology，26（13） 135703， 2015

29. The electronic and magnetic properties of transition-metal element doped three-dimensional topological Dirac semimetal in Cd3As2
Hao Jin, Ying Dai, Yan-Dong Ma, Xin-Ru Li Wei Wei, Lin Yu and Bai-Biao Huang 
J. Mater. Chem. C, 3, 3547 – 3551,2015

30. Synthesis and characterization of ZnS with controlled amount of S vacancies for photocatalytic H2 production under visible light
Gang Wang, Baibiao Huang, Zhujie Li, Zaizhu Lou, Zeyan Wang, Ying Dai & Myung-Hwan Whangbo
Scitific Reports, 5 : 8544， 2015

31. A Bismuth-Based Metal-Organic Framework as an Efficient Visible-Light-Driven Photocatalyst
Wang, GZ; Sun, QL ; Liu, YY; Huang, BB ; Dai, Y ; Zhang, XY ?; Qin, XY
Chem. Eur. J, 21(6)，2364-2367，2015

1. Origin of the Increased Photocatalytic Performance of TiO2 Nanocrystal Composed of Pure Core and Heavily Nitrogen-Doped Shell: A Theoretical Study
Xiangchao Ma, Ying Dai, and Baibiao Huang
ACS Appl. Mater. Interfaces, 6 (24), 22815–22822，2014

2. Strain-Induced Quantum Spin Hall Effect in Methyl-Substituted Germanane GeCH3
Yandong Ma, Ying Dai, Wei Wei, Baibiao Huang & Myung-Hwan Whangbo
Sci Rep， 4，7297，2014

3. GeH: A Novel Graphene-Like Material as Visible-light Driven Photocatalyst for Hydrogen Evolution
Zhenhua Liu , Baibiao Huang , Zaizhu Lou , Zhujie Li , Gang Wang , Zeyan Wang , Yuanyuan Liu , Sheng-Qing Xia , Xiaoyan Qin , Xiaoyang Zhang and Ying Dai
ChemComm， 50, 11046-11048,2014

4. New Basic Insights into the Low Hot Electron Injection Efficiency of Gold-Nanoparticle-Photosensitized Titanium Dioxide
Ma, Xiangchao; Dai, Ying; Yu, Lin; Huang, Baibiao
ACS Applied Mater & Interf，6 (15), 12388–12394，2014

5. Synthesis and activity of plasmonic photocatalysts (Review)
Zaizhu Lou, Zeyan Wang,Baibiao Huang and Ying Dai
ChemCatChem, 6（9) 2456–2476,2014

6. Ideal two-dimensional systems with a gain Rashba-type spin splitting: SrFBiS2 and BiOBiS2 nanosheets
Yandong Ma, Ying Dai, Na Yin, Tao Jing, and Baibiao Huang
J. Mater. Chem. 2（40），8539-8545,2014

7. Near-Infrared Photocatalytic Activity Induced by Intrinsic Defects in Bi2MO6 (M=W, Mo)
Tao Jing, Ying Dai, Wei Wei, Xiangchao Ma and Baibiao Huang
PhysChemChemPhys，16（34）18596-18604，2014

8. Emergence of electric polarity in BiTeX (X=Br and I) monolayers and the giant Rashba spin splitting
Yandong Ma, Ying Dai, Wei Wei, Xinru Li and Baibiao Huang
PhysChemChemPhys., 16 (33), 17603 - 17609,2014

9. Ag6Si2O7: a Silicate Photocatalyst for the Visible Region
Zaizhu Lou, Baibiao Huang, Zeyan Wang, Xiangchao Ma, Rui Zhang, Xiaoyang Zhang, Xiaoyan Qin, Ying Dai and Myung-Hwan Whangbo
Chem Mater. 26, 3873-3875,2014

10. CuO/CuSCN valence state heterojunctions with visible light enhanced and ultraviolet light restrained photocatalytic activity
Gang Wang, Baibiao Huang, Lu Wang, Zeyang Wang, Zaizhu Lou, Xiaoyan Qin, Xiaoyang Zhang and Ying Dai
Chem. Commun., 50, 3814-3816,2014

11. Celastrol-modified TiO2 nanoparticles: effects of celastrol on the particle size and visible-light photocatalytic activity
Caihua Chen, Quanwen Liu, Shanmin Gao, Kai Li, Hui Xu, Zaizhu Lou, Baibiao Huang and Ying Dai
RSC Adv., ,4, 12098-12104,2014

12. Microstructure Modulation of Semiconductor Photocatalysts for CO2 Reduction
Liu, Yuanyuan; Wang, Zeyan; Huang, Baibiao; Dai, Ying; Qin, Xiaoyan; Zhang, Xiaoyang
Current Organic Chemistry, 18(5), 620-628(9),2014

13. Enhanced visible photocatalytic activity of a BiVO4@b-AgVO3 composite synthesized by an in situ growth method
Yanmei Yang, Yuanyuan Liu, Baibiao Huang, Rui Zhang, Ying Dai, Xiaoyan Qin and Xiaoyang Zhang
RSC Adv., 4, 20058-20061,2014

14. Layered photocatalyst Bi2O2[BO2(OH)] nanosheetswith internal polar field enhanced photocatalytic activity
Rui Zhang Ying Dai, Zaizhu Lou, Zhujie Li, Zeyan Wang,a Yanmei Yang, Xiaoyan Qin,a Xiaoyang Zhanga and Baibiao Huang
CrystEngComm, 16 (23), 4931 – 4934, 2014

15. Ti3+:TiO2/TiF3 hybrid with enhanced visible-light photocatalytic reactivity
Xiaodong Meng, Baibiao Huang, Xiangchao Ma, Zeyan Wang, Zhaoke Zheng,
Junpeng Wang, Xiaoyan Qin, Xiaoyang Zhang and Ying Dai
CrystEngComm, 16, 6538-6541,2014

16. First-principles GGA+U study of the different conducting properties in pentavalent-ion-doped anatase and rutile TiO
Yang, Kesong; Dai, Ying; Huang, Baibiao; Feng, Yuan
Journal of Physics D: Applied Physics，47， 275101，2014

17. Electronic and Magnetic Properties of Honeycomb Transition Metal Monolayers: First-principles Insights
Xinru Li, Ying Dai, Yandong Ma and Baibiao Huang
PhysChemChemPhys, 16, 13383-13389 , 2014

18. On the Electron-hole Pair Generation of the Visible-light Plasmonic Photocatalyst Ag@AgCl: Enhanced Optical Transitions Involving Mid-gap Defect States of AgCl
Xiangchao Ma, Ying Dai, Lin Yu, Zaizhu Lou, Baibiao Huang and Myung-Hwan Whangbo
J Phys.Chem.C, 118 (23),  12133–12140 , 2014

19. Immobilization of BiOX (X = Cl, Br) on activated carbon fibers as recycled photocatalysts
Zaiyong Jiang, Baibiao Huang, Zaizhu Lou, Zeyan Wang, Xiaodong Meng, Yuanyuan Liu,
Xiaoyan Qin, Xiaoyang Zhang and Ying Dai
Dalton Trans, 43, 8170-8173, 2014

20. Ln(IO3)3 (Ln = Ce, Nd, Eu, Gd, Er, Yb) polycrystals as novel photocatalysts for efficient decontamination under ultraviolet light irradiation
Wang, Wenjun; Cheng, Hefeng; Huang, Baibiao; Li, Xinru; Qin, Xiaoyan; Zhang, Xiaoyang; Dai, Ying
Inorganic Chemistry, 53(10):4989-93, 2014

21. Prediction of two-dimensional materials with half-metallic Dirac cones: Ni2C18H12 and Co2C18H12
Yandong Ma, Ying Dai Xinru Li, Qilong Sun, Baibiao Huang
Carbon 73, 382-388,2014

22. Noble-metal-free plasmonic photocatalyst: hydrogen doped semiconductors
Xiangchao Ma, Ying Dai, Lin Yu and Baibiao Huang
Sci.Rep,.4: 3986,2014

23. Engineering BiOX (X = Cl, Br, I) nanostructures for highly efficient photocatalytic applications. (Review)
Hefeng Cheng, Baibiao Huang, Ying Dai
Nanoscale， 6, 2009-2026,2014.

24. Progress on extending the light absorption spectra of photocatalysts. (Review)
Zeyan Wang, Yuanyuan Liu, Baibiao Huang, Ying Dai, Zaizhu Lou, Gang Wang, Xiaoyang Zhang, Xiaoyan Qin
PhysChemChemPhys，16, 2758-2774, 2014

25. Realization of Controlling the Band Alignment via Atomic Substitution
Yandong Ma, Ying Dai , and Baibiao Huang
Carbon ,69, 495-501,2014

26. Tuning Photocatalytic Performance of the Near-Infrared-Driven Photocatalyst Cu2(OH)PO4 Based on Effective Mass and Dipole Moment
Zhujie Li, Ying Dai, Xiangchao Ma, Yingtao Zhu and Baibiao Huang
PhysChemChemPhys,16(7),3267-3273 , 2014

27. Effective Bandgap Engineering in Wrinkled Germanane via Tiny Electric Field
Yandong Ma, Ying Dai , Ying-Bo Lu, and Baibiao Huang
J. Mater. Chem. C, 2 (6), 1125 - 1130, 2014

28. Graphene/g-C3N4 Bilayer: Considerable Band Gap Opening and Effective Band Structure Engineering
Xinru Li, Ying Dai, Yandong Ma, Shenghao Han and Baibiao Huang 
PhysChemChemPhys, 16(9),4230-4235,2014

1. First Near-Infrared-Light-Driven Photocatalyst Cu2(OH)PO4
Gang Wang, Baibiao Huang, Xiangchao Ma, Zeyan Wang, Xiaoyan Qin, Xiaoyang Zhang, Ying Dai, and Myung-Hwan Whangbo
Angew Chem Inter Edit, 52(18),4810-4813,2013 (VIP)

2. Strain-Engineered Modulation on the Electronic Properties of Phosphorous-Doped ZnO,
Ying-Bo Lu, Ying Dai, Wei Wei, Yingtao Zhu, and Baibiao Huang
ChemphysChem, ,14,3916-3924, 2013 

3. Insights into the Role of Surface Distortion in Enhancing the Photocatalytic Quantum Efficiency of Anatase TiO2
Ma, Xiangchao; Dai, Ying; Guo, Meng; Huang, Baibiao
J. Phys. Chem.C, 117(46),24496-24502, 2013

4. The Relative Photooxidation and Photoreduction Activities of the {100}, {101}, and {001} Surfaces of Anatase TiO2
Ma, Xiangchao; Dai, Ying; Guo, Meng; Huang, Baibiao
Langmuir, 29 (44), 13647–13654 , 2013

5. Enhanced many-body effects in 2- and 1-dimensional ZnO structures: A Green's function perturbation theory study
Wei Wei Ying Dai, Baibiao Huang and Timo Jacob
J Chem. Phys. 139 ( 14),144703, 2013

6. Efficient Separation of Photogenerated Electron-Hole Pairs by the Combination of a Heterolayered Structure and Internal Polar Field in Pyroelectric BiOIO3 Nanoplates,
Wenjun Wang, Baibiao Huang, Xiangchao Ma, Zeyan Wang, Xiaoyan Qin, Xiaoyang Zhang, Ying Dai, Myung-Hwan Whangbo,
Chem. Eur. J., 19, 14777-14780, 2013

7. Interface kinetic diffusion reaction leading to fast and continuous generation of AgCl nanocubes in NaCl solution,
Zaizhu Lou, Baibiao Huang, Zeyan Wang, Xiaoyan Qin, Xiaoyang Zhang, Yuanyuan Liu, Rui Zhang, Ying Dai, and Myung-Hwan Whangbo
Dalton Trans., 42, 15219-15225,2013.

8. Synthesis of Bi2O2CO3/Bi2S3 hierarchical microspheres with heterojunctions and their enhanced visible light-driven photocatalytic degradation of dye pollutants,
Wenjun Wang, Hefeng Cheng, Baibiao Huang, Xiaojing Lin, Xiaoyan Qin, Xiaoyang Zhang, Ying Dai,
J. Colloid Interf. Sci., 402, 34-39, 2013

9. Chemical Adsorption Enhanced CO2 capture and photoreduction over a Copper porphyrin based metal organic framework
Yuanyuan Liu, Yanmei Yang, Qilong Sun, Zeyan Wang, Baibiao Huang, Ying Dai, Xiaoyan Qin, Xiaoyang Zhang
ACS Appl. Mater. Interfaces 5, 7654−7658, 2013

10. Electronic and Molecular Behaviors of a Novel Ionic Paramagnetic Ruthenium (III) Complex
Qilong Sun, Ying Dai, Yandong Ma, Xiangchao Ma and Baibiao Huang
PhysChemChemPhys, 15 (37), 15392 - 15398,2013

11. First-principles study of one-dimensional sandwich wires [(P) 5 TM] (TM=Ti, V, Cr, Mn, Fe, Co)
Yandong Ma, Ying Dai, Xinru Li, Zhujie Li and Baibiao Huang
J Phys.: Condensed Matter, 25, 395503, 2013

12.Synergistic modification of electronic and photocatalytic properties of TiO2 nanotube by implantation of Au and N
Yingtao Zhu, Ying Dai, Kangrong Lai, Baibiao Huang
ChemphysChem, 14(12),2800-2807,2013

13. Dirac Cones in Two-Dimensional Lattices: Janugraphene and Chlorographene"
Ma, Yandong; Dai, Ying; Huang, Baibiao
J. Phys. Chem. Lett., 4, 2471-2476, 2013

14. Electronic and Magnetic Properties of One Dimensional Sandwich Polymers: [(Ge5)TM]∞ (TM= Ti, V, Cr, Mn, Fe)
Xinru Li, Yandong Ma, Ying Dai, and Baibiao Huang
J. Mater. Chem. C, 1,4565-4569, 2013

15. Fast-generation of Ag3PO4 concave microcrystals from electrochemical oxidation of bulk silver sheet
Zaizhu Lou, Baibiao Huang, Zeyan Wang, Rui Zhang, Yanmei Yang, Xiaoyan Qin, Xiaoyang Zhang and Ying Dai, 
CrystEngComm, 15, 5070-5075, 2013

16. Tailoring AgI nanoparticles for the assembly of AgI/BiOI hierarchical hybrids with size-dependent photocatalytic activities,
Hefeng Cheng, Wenjun Wang, Baibiao Huang, Zeyan Wang, Jie Zhan, Xiaoyan Qin, Xiaoyang Zhang and Ying Dai,
J. Mater. Chem. A, 1, 7131-7136, 2013.

17. Engineering a Topological Phase Transition in b-InSe via Strain
Yandong Ma, Ying Dai , Lin Yu, Chengwang Niu, and Baibiao Huang
New Journal of Phys. 15, 073008, 2013

18. Fullerene Interfaced with TiO2 (110) Surface May not Form Efficient Photovoltaic Heterojunctions: First-Principles Investigation of Electronic Structures
Long, Run; Dai, Ying; Huang, Baibiao
J. Phys. Chem. Lett, 4, pp 2223–2229 , 2013

19. Novel Two-Dimensional Tetragonal Monolayer: Metal-TCNQ Networks
Ma, Yandong; Dai, Ying; Wei, Wei; Yu, Lin; Huang, Baibiao
J. Phys.Chem.A,117, 5171,5177, 2013

20. Material realization of topological crystalline insulators: Role of strain and spin-orbit coupling
Chengwang Niu, Ying Dai, Yandong Ma, Lin Yu, and Baibiao Huang}
Mater.Express, 3(2),  159-165(7) 2013

21. Many-body effects in silicene, silicane, germanene and germanane,
Wei Wei, Ying Dai, Baibiao Huang and Timo Jacob.
PhysChemChemPhys, 15, 8789-8794, 2013

22. Investigation of magnetic properties induced by group-V element in doped ZnO
Ying-Bo Lu, Ying Dai, Meng Guo,Lin Yu,and Baibiao Huang
PhysChemChemPhys, 15,5208-5214, 2013

23. Tunable electronic and dielectric behavior of GaS and GaSe monolayers
Yandong Ma, Ying Dai, Meng Guo, Lin Yu, Baibiao Huang
PhysChemChemPhys, 15,7098-7105, 2013

24. The roles of growth conditions on the topotactic transformation from TiOF2
nanocubes to 3D hierarchical TiO2 nanoboxes
Zeyan Wang, Baibiao Huang, Ying Dai, Xianglin Zhu, Yuanyuan Liu, Xiaoyang Zhang, Xiaoyan Qin,
CrystEngComm, 15, 3436-3441,2013

25. Synthesis of Bi2O2CO3/Bi2S3 hierarchical microspheres with heterojunctions and their enhanced visible light-driven photocatalytic degradation of dye pollutants,
Wenjun Wang, Hefeng Cheng, Baibiao Huang, Xiaojing Lin, Xiaoyan Qin, Xiaoyang Zhang, Ying Dai,
J. Colloid Interf. Sci., 402, 34-39,2013

26. Enhanced photocatalytic H2 production on hierarchical rutile TiO2 microspheres
Shaoying Wang, Zhaoke Zheng, Baibiao Huang, Zeyan Wang, Yuanyuan Liu, Xiaoyan Qin, Xiaoyang Zhang, Ying Dai,
RSC Adv., 3, 5156-5161.2013

27. One-pot solvothermal synthesis of Cu2ZnSnS4@SnO2 nanocomposites,
Xiaojing Lin, Baibiao Huang, Zeyan Wang, Wenjun Wang, Ying Dai, Xiaoyang Zhang, Xiaoyan Qin,?
Mater. Lett., 99, 146-149.2013

28. Realization of insulating massive Dirac fermion state in Bi2Te3 by co-substitution of magnetic and
non-magnetic elements
ChengWang Niu, Ying Dai,Lin Yu, and Baibiao Huang
Appl.Phys.Lett. 102,092402, 2013

29. Optical Transition and Photocatalytic Performance of d1 Metallic Perovskites
Yingtao Zhu, Ying Dai, Kangrong Lai, Zhujie Li, and Baibiao Huang
J. Phys.Chem.C, 117,5593-5598, 2013

30. Insights into the adsorption and energy transfer of Ag cluster on the
AgCl (100) surface
Xiangchao Ma,Ying Dai, Meng Guo, Yingtao Zhu,and Baibiao Huang
PhysChemChemPhys, 15(22),8722-8731, 2013

31. Tunable topological surface and realization of insulating massive Dirac fermion state in Bi2Te2Se with co-substitution
Chengwang Niu,Ying Dai, Meng Guo Yandong Ma, Baibiao Huang, and Myung-Hwan Whangbo
J. Mater. Chem. C, 2013, 1, 114 - 120

32. Metallic zinc- assisted synthesis of Ti3+ self-doped TiO2 with tunable phase composition and visible-light photocatalytic activity
Zhaoke Zheng , Baibiao Huang , Xiaodong Meng , Junpeng Wang , Shaoying Wang , Zaizhu Lou , Zeyan Wang , Xiaoyan Qin , Xiaoyang Zhang and Ying Dai
Chem. Commun.,,49, 868-870, 2013

33. Engineering intriguing electronic and magnetic properties in novel one-dimensional staircase-like metallocene wires
Yandong Ma, Ying Dai , and Baibiao Huang
J. Mater. Chem. C, 2013, 1, 941 - 946

34. Synergistic effects of codopants on photocatalytic O2 evolution in BiVO4
Kangrong Lai , Yingtao Zhu , Jibao Lu, Ying Dai , Baibiao Huang
Solid State Sci. 24 ,79-84 (2013)

35. N- and Mo-doping Bi2WO6 in photocatalytic water splitting
Kangrong Lai , Yingtao Zhu , Jibao Lu, Ying Dai , Baibiao Huang
Comput. Mater. Sci. , 2013, 67, 88-92

1. Evidence of the Existence of Magnetism in Pristine VX2 Monolayers (X=S, Se) and Their Strain-Induced Tunable Magnetic Properties
Ma, Yandong; Dai, Ying; Guo, Meng; Niu, Chengwang; Zhu, Yingtao; Huang, Baibiao
ACS Nano, 6(2),1695-1701,2012.  DOI: 10.1021/nn204667z
Highlighted by Nature Nanotechnology Vol.7, 141,2012 （高被引论文）

2. Realization of tunable Dirac cone and insulating bulk states in topological insulators (Bi1-xSbx)2Te3
Chengwang Niu, Ying Dai, Yingtao Zhu, Yandong Ma , Lin Yu, Shenghao Han and Baibiao Huang
Scientific reports 2,976 (2012)

3. A Novel 3D AgCl Hierarchical Superstructure Synthesized via Wet Chemical Oxidization Method
Zaizhu Lou, Baibiao Huan,Xiangchao Ma,Xiaoyang Zhang,Xiaoyan Qin,Zeyan Wang,? Ying Dai, Yuanyuan Liu
Chemistry - A European Journal , 18, 16090-16096(2012)

4. Topological phase transition and unexpected mass acquisition of Dirac Fermion in TlBi(S1-xSex)2
Chengwang Niu, Ying Dai Yingtao Zhu, Jibao Lu, Yandong Ma, and Baibiao Huang
Appl Phys.Lett. 101,182101 (2012)

5. Controlled synthesis of Ag2O microcrystals with facets-dependent photocatalytic activities
Gang Wang , Xiangchao Ma , Baibiao Huang , Hefeng Cheng , Zeyan Wang , Jie Zhan , Xiaoyan Qin , Xiaoyang Zhang and Ying Dai
J Mater Chem. 22，21189-21194 (2012)

6. Oxygen Vacancy Induced Band-Gap Narrowing and Enhanced Visible Light Photocatalytic Activity of ZnO
Wang, Junpeng; Wang, Zeyan; Huang, Baibiao; Ma, Yandong; Liu, Yuanyuan; Qin, Xiaoyan ;Zhang, Xiaoyang; Dai, Ying
ACS Appl Mater Inter , 4(8) 4024-4030 ( 2012)

7. Tuning of the Surface Exposing and Photocatalytic Activity for AgX (X=Cl and Br): A Theoretical Study
Ma, Xiangchao; Dai, Ying; Lu, Jibao; Guo, Meng; Huang, Baibiao
J Phys Chem C. 2012, 116 (36), pp 19372–19378 (2012)

8. An anion exchange approach to Bi2WO6 hollow microspheres with efficient visible light photocatalytic reduction of CO2 to methanol
Hefeng Cheng, Baibiao Huang, Yuanyuan Liu, Zeyan Wang, Xiaoyan Qin, Xiaoyang Zhang and Ying Dai
Chem. Commun, 48, 9729-9731,(2012)

9. Magnetic properties of phthalocyanine-based organometallic nanowire
Yandong Ma, Ying Dai, Zhenkui Zhang, Lin Yu, and Baibiao Huang
Appl. Phys. Lett. 101, 062405 (2012)

10. Intrinsic defect in BiNbO4: A density functional theory study
Kangrong Lai,Yingtao Zhu, Ying Dai, and Baibiao Huang
J. Appl. Phys. 112, 043706 (2012)

11. Graphene-Diamond Interface: Gap Opening and Electronic Spin Injection
Yandong Ma, Ying Dai , Meng Guo, and Baibiao Huang
Phys.Rev.B. 85, 235448 (2012)

12. Manipulation of topological surface states and its mechanism in Bi2Se3 family by 2p light elements
Chengwang Niu, Ying Dai, Zhenkui Zhang, Yandong Ma, and Baibiao Huang
Appl.Phys.Lett.100, 252410 (2012)

13. Intriguing Behavior of Halogenated Two-Dimensional Tin
Yandong Ma, Ying Dai , Meng Guo, Chengwang Niu, and Baibiao Huang
J Phys Chem C.116 (23), pp 12977–12981 (2012)

14. Halogenated Two-Dimensional Germanium: a Candidate Material Being of Quantum Spin Hall State
Yandong Ma, Ying Dai , Chengwang Niu, and Baibiao Huang
J Mater.Chem. 22,12587-12591 (2012)

15. The role of effective mass of carrier in the photocatalytic behavior of silver halide based Ag@AgX(X=Cl, Br, I): a theoretical study
Xiangchao Ma, Ying Dai, Meng Guo, Baibiao Huang
ChemPhysChem.13(9), 2304-2309 (2012)

16. Topotactic Transformation of Single-Crystalline TiOF2 Nanocubes to Ordered Arranged 3D Hierarchical TiO2 Nanoboxes
Zeyan Wang, Baibiao Huang, Ying Dai, Xiaoyang Zhang, Xiaoyan Qin, Zhao Li, Zhaoke Zheng, Hefeng Cheng and Liwen Guo
CrystEngComm 14, 4578-4581 (2012)

17. α-Fe2O3 hollow structures: formation of single crystalline thin shells
Bing Xu, Baibiao Huang, Hefeng Cheng, Zeyan Wang, Xiaoyan Qin, Xiaoyang Zhang and Ying Dai
Chem.Comm., 48, 6529-6531(2012), DOI: 10.1039/C2CC33032F

18. Plasmonic Photocatalysts: Harvesting Visible Light with Noble Metal Nanoparticles
Peng Wang, Baibiao Huang,Ying Dai, Mike Whangbo
PhysChemChemPhys.,14,9813-9825, 2012,(Review)

19. Hydrogenated titania: synergy of surface modification and morphology improvement for enhanced photocatalytic activity
Zhaoke Zheng, Baibiao Huang, Jibao Lu, Zeyan Wang, Xiaoyan Qin, Xiaoyang Zhang, Ying Dai and Myung-Hwan Whangbo
Chem.Comm.,48, 5733-5735 ( 2012,)

20. Insights into the chemical and optical properties of carbon-doped TiO2:A density-functional study
Jibao Lu, Ying Dai, Meng Guo, Lin Yu, Kangrong Lai, Baibiao Huang
Appl.Phys.Lett. 100, 102114 ( 2012)

21. One-step synthesis of AgCl concave cubes by preferential overgrowth along <111> and <110> directions
Zaizhu Lou, Baibiao Huang, Xiaoyan Qin, Xiaoyang Zhang, Hefeng Cheng, yuanyuan Liu, Shaoying Wang, Junpeng Wang, Ying Dai
Chem.Comm. 48,3488-3490 (2012)

22. Surface termination effect on the quantum confinement and electron affinities of 3C-SiC quantum dots: A first-principles study
Zhenkui Zhang, Ying Dai, Lin Yu, Meng Guo, Baibiao Huang and Myung-Hwan Whangbo
Nanoscale,4(5),1592-1597 (2012)

23. Electronic and magnetic properties of the two-dimensional C4H-type polymer with strain effects, intrinsic defects and foreign atom substitutions
Yandong Ma, Ying Dai, Meng Guo, Chengwang Niu, Zhenkui Zhang, and Baibiao Huang
PhysChemChemPhys, 14 (10), 3651 - 3658 (2012)

24. First-principles characterization of ferromagnetism in N-doped SrTiO3 and BaTiO3
Kesong Yang, Ying Dai, Baibiao Huang
Appl.Phys.Lett. 100(6),062409 (2012)

25. Crystal facets controlled synthesis of graphene@TiO2 nanocomposites by a one-pot hydrothermal process
Zeyan Wang, Baibiao Huang, Ying Dai, Yuanyuan Liu, Xiaoyang Zhang, Xiaoyan Qin, Junpeng Wang, Zhaoke Zheng and Hefeng Cheng
CrystEngComm, 14,1687-1692 (2012)

26. Synthesis and characterization of activated carbon-coated SiO2/TiO2?xCx nanoporous composites with high adsorption capability and visible light photocatalytic activity
Yubao Wang, Juzheng Zhang, Xin Liu, Shanmin Gao, Baibiao Huang, Ying Dai, Yanbin Xu
Mater Chem Phys, 135(2–3), 579-586( 2012)

27. Structure and Electronic Properties and phase stabilities of the Cd1–xZnxS Solid Solution in the range of 0 ≤ x ≤ 1
Jibao Lu, Ying Dai, Meng Guo, Wei Wei, Yandong Ma, Shenghao Han, and Baibiao Huang
ChemPhysChem. 13(1),147-154 (2012)

28. A controlled anion exchange strategy to synthesize Bi2S3 nanocrystals/BiOCl hybrid architectures with efficient visible light photoactivity
Hefeng Cheng, Baibiao Huang, Xiaoyan Qin, Xiaoyang Zhang and Ying Dai
Chem. Commun., 48,97-99 (2012)

29. Atomic Pt and molecular H2O adsorptions on SrTiO3 with and without Nb-doping: electron trapping center and mediating roles of Pt in charge transfer from semiconductor to water
Wei Wei, Ying Dai Meng Guo, Yandong Ma, Baibiao Huang
J Solid State Chem. 187,64-69 (2012)

30. Effects of oxygen vacancy and N-doping on the electronic and photocatalytic properties of Bi2MO6 (M=Mo, W)
Kangrong Lai , Wei Wei, Yingtao Zhu, Meng Guo, Ying Dai, Baibiao Huang
J Solid State Chem. 187, 103-108 (2012)

31. Tuning electronic structure and photocatalytic properties by Ag incorporated on (001) surface of anatase TiO2
Yingtao Zhu, Wei Wei, Kangrong Lai, Meng Guo, Ying Dai, Baibiao Huang
Appl.surf.sci. 258,4806-4812 (2012)

32. Tailoring the band gap of GaN codoped by VO for enhanced solar energy conversion from first-principles calculations
Meng Guo, Ying Dai , BaiBiao Huang
Comput. Mater. Sci. 54, 101-104 (2012)

33. Electronegativity and charge-balance for the high visible-light photocatalytic activity in non-metal doped anatase TiO2
Jibao Lu, Hao Jin, Ying Dai, Kesong Yang and Baibiao Huang
Int. J.photoenergy，2012, 928503 (2012)

34. The synthetic effects of iron with sulfur and fluorine on photoadsorption and photocatalytic performance in codoped TiO2
Xiaohua Li, Jibao Lu, Ying Da,Meng Guo, and Baibiao Huang
Int. J.photoenergy,2012,203529 (2012)

1. Magnetic properties of tris(8-hydroxyquinoline)iron: Experimental and theoretical investigation
Pang Zhiyong; Lin Liang; Wang Fenggong; Fang Shaojie; Dai Ying; Han Shenghao
Appl. Phys. Lett. 99, 153306 (2011)

2. Hierarchical TiO2 Microspheres: Synergetic Effect of {001} and {101} Facets for Enhanced Photocatalytic Activity
Zhaoke Zheng, Baibiao Huang, Jibao Lu, Xiaoyan Qin, Xiaoyang Zhang, and Ying Dai
Chem. Eur. J. 17, 15032 – 15038(2011)

3.One-step synthesis of AgBr microcrystals with different morphologies by ILs-assisted hydrothermal method
Zaizhu Lou, Baibiao Huang, Xiaoyan Qin, Xiaoyang Zhang, Zeyan Wang, Zhaoke Zheng, Hefeng Cheng, Peng Wang and Ying Dai
Cryst.Eng,Comm,13, 1789-1793 (2011) 

4. Quantum anomalous Hall effect in doped Ternary Chalcogenide topological insulators TlBiTe2 and TlBiSe2
Chengwang Niu, Ying Dai, Lin Yu, Meng Guo, Yandong Ma, and Baibiao Huang
Appl.Phys.Lett. 99,142502 (2011); Virtual Journal of Nanoscale Science & Technology , Vol. 24(16),2011

5. First-principles study of the graphene@MoSe2 heterobilayers,
Yandong Ma, Ying Dai , Wei Wei, Chengwang Niu, Lin Yu, and Baibiao Huang,
J Phys. Chem.C, 115 (41), pp 20237–20241 (2011)

6. Effective increasing of optical absorption and energy conversion efficiency of anatase TiO2 nanocrystals by hydrogenation
Jibao Lu, Ying Dai, Hao Jin, and Baibiao Huang,
PhysChemChemPhys,13, 18063-18068(2011)

7. The Role of Cu-Doping in SnO2 Sensing Properties Toward H2S
Wei, Wei; Dai, Ying; Huang, Baibiao
J Phys. Chem.C,115 (38), pp 18597–18602 (2011)

8. Graphene adhesion on MoS2 monolayer: An ab initio study
Yandong Ma, Ying Dai , and Baibiao Huang
Nanoscale, 3, 3883-3887 (2011)

9. Electronic and magnetic properties of perfect, vacancy-doped, and nonmetal adsorbed MoSe2, MoTe2 and WS2 monolayers
Yandong Ma, Ying Dai, Meng Guo, Wei Wei，Chengwang Niu, Jibao Lu, and Baibiao Huang
PhysChemChemPhys, 13 (34), 15546 - 15553 (2011)

10. A New Photocatalyst: Bi2TiO4F2 Nanoflakes Synthesized by a Hydrothermal Method
Shaoying Wang, Baibiao Huang, Zeyan Wang, Yuanyuan Liu, Wei Wei, Xiaoyan Qin, Xiaoyang Zhang and Ying Dai
Dalton Transactions, 40, 12670-12675 (2011)

11. Facile Two-Step in Situ Synthesis of Visible-Light Plasmonic Photocatalysts M@TiO2 (M = Au, Pt, Ag) and Evaluation of Their Photocatalytic Oxidation of Benzene to Phenol
Zhaoke Zheng, Baibiao Huang,Xiaoyan Qin,Xiaoyang Zhang, Ying Dai and Myung-Hwan Whangbo
J Mater. Chem , 21,9079-9087 (2011)

12. One-Pot Miniemulsion-Mediated Route to BiOBr Hollow Microspheres with Highly Efficient Photocatalytic Activity
Hefeng Cheng, Baibiao Huang, Zeyan Wang, Xiaoyan Qin, Xiaoyang Zhang, Ying Dai,
Chemistry - A European Journal, 17(29), 8039-8043 (2011)

13. Composition-dependence of the photocatalytic activities of BiOCl1-xBrx solid solutions under visible light
Yuanyuan Liu, Won-Joon Son,Jibao Lu, Baibiao Huang,Ying Dai,Myung-Hwan Whangbo
Chemistry - A European Journal, 17(34),9342-9349 (2011)

14. Preparation, characterization, and photocatalytic properties of silver carbonate
Chengwei Xu, Yuanyuan Liu, Baibiao Huang, Hui Li, Xiaoyan Qinb, Xiaoyang Zhang and Ying Dai
Appl. Surf. Sci. 257(20), 8732-8736(2011)

15. Density functional investigation of structural, electronic and optical properties of Ge-doped ZnO
Ying-bo Lv, Ying Dai, Kesong Yang, Zhenkui Zhang, Wei Wei, Meng Guo and Baibiao Huang
Physica B,406(20), 3926-3930 (2011)

16. Mn induced ferromagnetism and modulated topological surface states in Bi2Te3
Chengwang Niu, Ying Dai, Meng Guo, Wei Wei, Yandong Ma, and Baibiao Huang
Appl.Phys.Lett. 98,252502 (2011) ，Vir.J.Nan.Sci.&Tech. 24(1), July 4,( 2011)

17. Strain-induced magnetic transitions in half-fluorinated single layers of BN, GaN and grapheme
Yandong Ma, Ying Dai, Meng Guo, Chengwang Niu, Lin Yu and Baibiao Huang,
Nanoscale , 3, 2301 (2011)

18. Density Functional Characterization of Pure and Alkaline Earth Metal-Doped Bi12GeO20, Bi12SiO20, and Bi12TiO20 Photocatalysts ,
Jibao Lu, Ying Dai, Yingtao Zhu and Baibiao Huang,
ChemCatChem 3（2）, 378–385, 2011

19.In situ ion exchange synthesis of the novel Ag/AgBr/BiOBr hybrid with highly efficient decontamination of pollutants
Hefeng Cheng, Baibiao Huang, Peng Wang, Zeyan Wang, Zaizhu Lou, Junpeng Wang, Xiaoyan Qin, Xiaoyang Zhangand Ying Dai
ChemComm. 47, 7054-7056, 2011

20. First-principles study of the electronic and magnetic properties of oxygen-deficient rutile TiO2 (110) surface,
J.B. Lu, H. Jin, Y. Dai, and B.B. Huang
J Solid State Chem.,184(5), 1148-1152 , 2011

21. Ag adsorption on Cd-terminated CdS (0001) and S-terminated CdS(000) surfaces: First-principles investigations
Yandong Ma; Ying Dai; Wei Wei; Xianghong Liu; Baibiao Huang
J Solid State Chem. 184, 747-752，2011

22. Magnetism in non-transition-metal doped CdS studied by density functional theory ,
Ma Yandong, Ying Dai, Baibiao Huang,
Comp. Mater. Sci., 50(5),1661-1666,  2011

23. Magnetic properties of the semifluorinated and semihydrogenated 2D sheets of group-IV and III-V binary compounds
Yandong Ma,Ying Dai , Meng Guo, Chengwang Niu, Lin Yu and Baibiao Huang
Appl. Surf. Sci.257(17), 7845-7850, 2011

24. Atomic Cu adsorption on defect-free SrTiO3 (001) surface 
Wei Wei, Ying Dai, Kangrong Lai, Meng Guo and Baibiao Huang
Chem.Phys.Lett.510, 104–108, 2011

25， Ag-mediated charge transfer from electron-doped SrTiO3 to CO and NO: a first-principles study
Wei Wei, Ying Dai, Meng Guo, Chengwang Niu and Baibiao Huang
Surface Science, 605, 1331-1335, 2011

26. High Gas Sensitivity Of Pure Cdin2o4 Hollow Spheres For Hydrocarbons
Jiaoxian Yu, Baibiao Huang, Ying Dai , Xiaoyan Qin, Xiaoyang Zhang, Zeyan Wang, Shaoying Wang
Solid State Sciences, 13,1315-1319,2011

27. Au Adsorption and Au-mediated Charge Transfer on the SrO-termination of SrTiO3 (001) Surface,
Wei Wei, Ying Dai, Meng Guo, Baibiao Huang, 
Appl.Surf.Sci.257, 6607–6611, 2011

28. One-step synthesis of AgBr microcrystals with different morphologies by ILs-assisted hydrothermal method,
Zaizhu Lou, Baibiao Huang, Xiaoyan Qin, Xiaoyang Zhang, Zeyan Wang, Zhaoke Zheng, Hefeng Cheng, Peng Wang and Ying Dai
CrystEngComm, 13, 1789-1793, 2011

29. Highly efficient visible light plasmonic photocatalysts Ag@Ag(Cl,Br) and Ag@AgCl-AgI
Peng Wang, Baibiao Huang, Xiaoyang Zhang, Xiaoyan Qin, Ying Dai, Zeyan Wang and Zaizhu Lou
ChemCatChem 3(2),  360–364, 2011

30. Facile synthesis of Zn-rich (GaN)1-x(ZnO)x solid solutions using layered double hydroxides as precursors,
Junpeng Wang,Baibiao Huang,Zeyan Wang, Peng Wang,Hefeng Cheng,Zhaoke Zheng, Xiaoyan Qin,Xiaoyang Zhang,Ying Dai and Myung-Hwan Whangbo
J Mater. Chem, 21, 4562-4567 , 2011

31. The synthesis of the near-spherical AgCl crystal for visible light photocatalytic applications,
Zaizhu Lou, Baibiao Huang, Peng Wang, Zeyan Wang, ?Xiaoyan Qin, Xiaoyang Zhang, Hefeng Cheng, Zhaoke Zheng and Ying Dai
Dalton Transactions 40,4104-4110, 2011

32. Facile synthesis of SrTiO3 hollow microspheres built as assembly of nanocubes and their associated photocatalytic activity
Zhaoke Zheng; Baibiao Huang; Xiaoyan Qin; Xiaoyang Zhang; Ying Dai, 
J.Colloid & Interface Sci. 358（1）, 68-72, 2011

33. Synthesis and Optical Properties of Amorphous C-Si-O particles
Liren Zheng, Baibiao Huang, Jiyong Wei, Ying Dai, Myung-Hwan Whangbo
J.Luminescence, 131(2), 218-224, 2011

2010年：

1. Synergistic effect of crystal and electronic structures on the visible-light-driven photocatalytic performances of Bi2O3polymorphs
Hefeng Cheng, Baibiao Huang, Jibao Lu, Zeyan Wang, Bing Xu, Xiaoyan Qin, Xiaoyang Zhang and Ying Dai
Phys. Chem. Chem. Phys., 2010,12, 15468-15475

2. Room-Temperature Ferromagnetism of Cu-Doped ZnO Films Probed by Soft X-Ray Magnetic Circular Dichroism.
T. S. Herng, D.-C. Qi, T. Berlijn, J. B. Yi, K. S. Yang,Y. Dai, Y. P. Feng, I. Santoso, C. Sa′nchez-Hanke,X.Y. Gao, Andrew T. S. Wee, W. Ku, J. Ding, and A. Rusydi
Phys.Rev.Lett. 105, 207201 (2010)

3. Effects of Oxygen Vacancy on the Magnetic Properties of Cr-doped SnO2: Density Functional Investigation
Wei Wei, Ying Dai, , Meng Guo, Zhenkui Zhang and Baibiao Huang
J.Solid state chem. 183,3073, 2010

4. Semiconductor photocatalysts for the visible light absorption from wide-gap semiconductors with dopant modification
Meng Guo and Ying Dai
Z.Kristallogr 225（11）,  528-530, 2010

5. Relationship between microstructure and photocatalytic properties of nanomaterials. Zeyan Wang, Baibiao Huang, Ying Dai, Peng Wang, Zhaoke Zheng und Hefeng Cheng
Z.Kristallogr, 225（11）, 520-527.2010.

6. Preparation, electronic structure, and photocatalytic properties of Bi2O2CO3 nanosheet. Yuanyuan Liu, Zeyan Wang, Baibiao Huang, Kesong Yang, Xiaoyang Zhang, Xiaoyan Qin and Ying Dai
Appl. Surf. Sci. 257[1], 172-175,2010,

7. Amino acid-assisted synthesis of ZnO twin-prisms and functional group's influence on their morphologies. Haixia Liu, Baibiao Huang,Zeyan Wang, Xiaoyan Qin, Xiaoyang Zhang, Jiyong Wei, Ying Dai, Peng Wang and Myung-Hwan Whan
Journal Of Alloys And Compounds 507[1],326-330，2010

8. Preparation of CdSe Nanocrystals with Special Morphologies
Zhang JZ, Gao SM, Huang BB, Dai Y., Wang J., Lu J.
Progress In Chemistry, 22[10],1901-1910, 2010

9. Density Functional Study of B-Doped Anatase TiO2,
Yang, Kesong; Dai, Ying; Huang, Baibiao
J.Phys.Chem.C. 114,19830 2010

10. Electronic and magnetic properties of C- doped Mg3N2: a density functional theory study
C.W. Niu, Kesong Yang, Lü Yingbo, Wei Wei, Ying Dai, and Baibiao Huang
Solid State Commun. 45-46, 2223-2226, 2010

11. Density Functional Study Of Magnetic Properties In Zn-Doped Sno2
Wei Wei, Ying Dai, , Meng Guo, Zhenkui Zhang and Baibiao Huang
J.Appl. Phys. 108,093901, 2010

12. Visible-light-driven photocatalytic S- and C- codoped meso/nanoporous TiO2
Pu Xu, Tao Xu, Jun Lu, Shanmin Gao, Narayan S. Hosmane, Baibiao Huang, Ying Dai and Yubao Wang
Energy Environ. Sci,3, 1128 - 1134, ., 2010. DOI: 10.1039/c001940m

13. Strategic Synthesis of Hierarchical TiO2 Microspheres with Enhanced Photocatalytic Activity
Zhaoke Zheng,Baibiao Huang,Xiaoyan Qin,Xiaoyang Zhang,Ying Dai
Chemistry - A Eur. J.16,11266, 2010, DOI: 10.1002/chem.201001280

14. Highly Efficient Visible Light Plasmonic Photocatalyst Ag@Ag(Br,I).
Wang P, Huang B, Zhang Q, Zhang X, Qin X, Dai Y, Zhan J, Yu J, Liu H, Lou Z
Chemistry - A Eur. J.,16,10042,2010

15. Investigation of Ferromagnetism in Al-doped 4H-SiC by Density Functional Theory
Lin Yu, Hao Jin, Donghong Liu, Ying Dai,Meng Guo, Baibiao Huang,Zhenkui Zhang
Chem.Phys.Lett.  496,276-279,2010

16. Density Functional Theory Study of Ag Adsorption on SrTiO3 (001) Surface
Wei Wei; Ying Dai; Meng Guo; Yingtao Zhu; Baibiao Huang
J.Phys.Chem.C. 114 (24), 10917–10921,2010

17. Codoping Synergistic Effects in N-doped SrTiO3 for High Energy Conversion Efficiency
Wei Wei, Ying Dai, Meng Guo, Lin Yu, Hao Jin, Shenghao Han, Baibiao Huang
Phys.chem.Chem.Phys.12, 7612 - 7619, 2010

18. Facile Template-free Synthesis of Bi2O2CO3 Hierarchical Microflowers and Their Associated Photocatalytic Activity
Hefeng Cheng, Baibiao Huang, Kesong Yang, Xiaoyan Qin, Xiaoyang Zhang and Ying Dai
ChemPhysChem 11(10),2167-2173,2010

19. Synthesis of anatase TiO2 tubular structures made up of microcrystallites with high percentage of {001} facets by a simple one-step hydrothermal template process
Xiaoning Wang, Baibiao Huang, Zeyan Wang, Xiaoyan Qin,Xiaoyang Zhang, Ying Dai, and Myung-Hwan Whangbo
Chem. Eur. J. 16(24),7106-7109,2010

20. Enhanced photocatalytic degradation of organic pollutants over basic bismuth (III) nitrates/BiVO4 composite
Yuanyuan Liu; BaibiaoHuang,Zeyan Wang; Xiaoyang Zhang; Xiaoyan Qin; Ying Dai
J. Col. Interf. Sci.,348(1),211-215, 2010

21. Study of electronic structure and negative electron affinity of nanodiamonds passivated by CHn species
Zhenkui Zhang, Ying Dai
J.Theor.Comp.Chem. 9(1), 353-363,2010

22. I2-Hydrosol-Seeded Growth of (I2)n-C-codoped Meso/nanoporous TiO2 for Visible Light-Driven Photocatalysis
Pu Xu,Jun Lu, Tao Xu,Shanmin Gao, Baibiao Huang,Ying Dai
J. Phys. Chem.C  114 (20), 9510–9517,2010

23. Origin of magnetism in undoped MoO2 studied by first-principles calculations
Fenggong Wang, Zhiyong Pang, Liang Lin, Shaojie Fang, Ying Dai, and Shenghao Han
Phys. Rev. B 81, 134407,2010

24. One-Step Synthesis of the Nanostructured AgI/BiOI Composites with Highly Enhanced Visible-Light Photocatalytic Performances,
Hefeng Cheng, Baibiao Huang, Ying Dai, Xiaoyan Qin and Xiaoyang Zhang
Langmuir, 26 (9), 6618–6624,2010

25. Origin of d0 magnetism in II-VI and III-V semiconductors by substitutional doping at anion site
Kesong Yang,Rongqin Wu,Lei Shen, Yuan Ping Feng,Ying Dai,and Baibiao Huang
Phys. Rev. B 81,125211,2010

26. Study of ammonia molecule adsorbing on diamond (100) surface,
Yandong Ma, Hao Jin, Ying Dai, Baibiao Huang
Appl. Surf. Sci. 256，4136-4141,2010

27. Quantum confinement effect on the vacancy-induced spin polarization in carbon, silicon and germanium nanoparticles: Density functional analysis
Zhenkui Zhang, Ying Dai, Baibiao Huang and Myung-Hwan Whangbo
Appl.Phys.Lett. 96,062505,2010

28. Effects of carbon on the weak ferromagnetism in doped GaN
Lin Yu, Zeyan Wang, Meng Guo, Donghong Liu, Ying Dai, Baibiao Huang
Chem.Phys.Lett. 487(4-6)，251,2010

29. Magnetism in Co-doped tris-8-hydroxyquinoline aluminum studied by first-principles calculations, Fenggong Wang, Zhiyong Pang, Liang Lin, Shaojie Fang, Ying Dai, Shenghao Han
Appl.Phys.Lett. 96,053304, 2010

30. Density functional characterization of antiferromagnetism in oxygen-deficient anatase and rutile TiO2
Kesong Yang,Ying Dai,Baibiao Huang Yuanping Feng,
Phys. Rev.B. 81,033202,2010 

31. Synthesis of Highly Efficient Ag@AgCl Plasmonic Photocatalysts with Various Structures
Peng Wang, Baibiao Huang, Zaizhu Lou, Xiaoyang Zhang, Xiaoyan Qin, Ying Dai, Zhaoke Zheng, Xiaoning Wang
Chemistry - A Eur. J.16,538,2010

2009年：

1. Highly Efficient Photocatalyst: TiO2 Microspheres Produced from TiO2 Nanosheets with a High Percentage of Reactive {001} Facets
Zhaoke Zheng, Baibiao Huang, Xiaoyan Qin, Xiaoyang Zhang, Ying Dai,Minhua Jiang, Peng Wang, and Myung-Hwan Whangbo
Chemistry - A European Journal, 15(46),12576, 2009

2. Selective ethanol formation from photocatalytic reduction of carbon dioxide in water with BiVO4 photocatalyst
Yuanyuan Liu, Baibiao Huang, Ying Dai, Xiaoyang Zhang, Xiaoyan Qin, Minhua Jiang, Myung-Hwan Whangbo
Catalysis Communications, Vol.11,(3), 210-213,2009

3.Magnetism in undoped MgO studied by density functional theory,
Fenggong Wang, Zhiyong Pang, Liang Lin, Shaojie Fang, Ying Dai, Shenghao Han
Phys.Rev.B.80, 144424, 2009

4. Density functional studies of the magnetic properties in nitrogen doped TiO2,
Kesong Yang, Ying Dai,Baibiao Huang and Myung-Hwan Whangbo
Chem.Phys.Lett.481(1-3),99-102, 2009

5. Density Functional Characterization of the Electronic Structure and Optical Properties of N-doped, La-doped and N/La-Codoped SrTiO3
Wei Wei, Ying Dai, Meng Guo, Lin Yu, Baibiao Huang
J Phys.Chem.C. 113（33），15046，2009

6. Energetic and electronic properties of X (Si, Ge, Sn, Pb) doped TiO2 from first-principles Run Long, Ying Dai, Guo Meng, Baibiao Huang
PhysChemChemPhys. 11,8165-8172,2009. 10.1039/b903298c

7. First-Principles Study of S Doping at the Rutile TiO2(110) Surface.
Run Long, Niall J. English and Ying Dai
J. Phys. Chem. C,113 (40), p17464–17470, 2009

8. Density Functional Characterization of Electronic Structure and Visible-light Absorption of Cr-Doped Anatase TiO2
Kesong Yang, Ying Dai, Baibiao Huang
ChemPhysChem 10,2327-2333, 2009

9. Crystal Faces of Cu2O and Their Stabilities in Photocatalytic Reactions,
Zhaoke Zheng, Baibiao Huang, Zeyan Wang, Meng Guo, Xiaoyan Qin, Xiaoyang Zhang, Peng Wang and Ying Dai
J Phys.Chem.C. 113（32），14448，2009

10. Visible-light Photocatalytic Activity of the Metastable Bi20TiO32 Synthesized by a High-temperature Quenching Method,
Hefeng Cheng; Baibiao Huang; Ying Dai; Xiaoyan Qin; Xiaoyang Zhang; Zeyan Wang; Minhua Jiang
J. Solid State Chem. 182，2274-2278，2009

11. Theoretical study of the magnetic interaction of Cr-doped ZnO with and without vacancies, Fenggong Wang, Zhiyong Pang, Liang Lin, Shaojie Fang, Ying Dai, Shenghao Han
J. Magn.Magn. Mater., 321,(19),3067-3070, 2009

12. The first-principles study of halogen impurity in diamond
C. X. Yan, Y. Dai, B. B. Huang, R. Long
J.phys. D. Appl.phys,42, 145407,2009

13. Ferromagnetism of undoped GaN mediated by through-bond spin polarization between nitrogen dangling bonds
Hao Jin, Ying Dai, BaiBiao Huang and M.-H. Whangbo
Appl. Phys. Lett. 94,162505,2009 ,Virtual J. Nanoscale Sci. & Tech.,May 4, 2009

14. First Principle Characterization of Bi-based Photocatalysts: Bi12TiO20, Bi2Ti2O7 and Bi4Ti3O12 , Wei Wei, Ying Dai, Baibiao Huang
J.Phys.Chem.C, 113,5658, 2009.

15. Highly Photocatalytic ZnO/In2O3 Heteronanostructures Synthesized by a Coprecipitation Method Zeyan Wang, Baibiao Huang, Ying Dai, Xiaoyan Qin, Xiaoyang Zhang, Peng Wang, Haixia Liu and Jiaoxian Yu
J.Phys.Chem.C, 113 (11), 4612–4617,2009

16. Density Functional Characterization of the Visible-light Absorption in Substitutional C-anion and C-cation doped TiO2
Kesong Yang, Ying Dai, Baibiao Huang and Myung-Hwan Whangbo,
J.Phys.Chem.C, 113,2624,2009

17. Highly efficient visible-light plasmonic photocatalyst Ag@AgBr
Peng Wang, Baibiao Huang, Xiaoyang Zhang, Xiaoyan Qin, Hao Jin, Ying Dai, Zeyan Wang, Jiyong Wei, Jie Zhan, Shaoying Wang, Junpeng Wang and Myung-Hwan Whangbo,
Chem. Eur. J. , 15(8),1821-1824,2009.

18. Ag/AgBr/WO 3 ·H 2 O: Visible-Light Photocatalyst for Bacteria Destruction.
Peng Wang, Baibiao Huang, Xiaoyan Qin, Xiaoyang Zhang, Ying Dai and Myung-Hwan Whangbo
Inorganic Chemistry 48 (22), 10697-10702，2009

19. Geometric and electronic properties of Sn-doped TiO2 from first-principles calculations, Run Long, Ying Dai, Baibiao Huang,
J.Phys.Chem.C, 113，651-653，2009.

20. Density functional characterization of the electronic structure and optical properties of Cr-doped SrTiO3
Wei Wei, Ying Dai, Hao Jin, Baibiao Huang,
J.Phys.D Appl.Phys. 42, 055401,2009

21. Hydrothermal Synthesis and Visible-light Photocatalytic Activity of Novel Cage-like Ferric Oxide Hollow Spheres
Jiaguo Yu*, Xiaoxiao Yu, Baibiao Huang, Xiaoyang Zhang and Ying Dai
Cryst. Growth Des., 9 (3), 1474–1480,2009（合作）

22. Structural and electronic properties of iodine doped anatase and rutile TiO2, Run Long, Ying Dai, Baibiao Huang
Comp. Mater.Sci. ,45(2) 223-228 (2009)

23. Shallow Donors in Diamond: Be and Mg, C. X. Yan, Y. Dai, B. B. Huang, R. Long ,
Comp. Mater.Sci. 44, 1286.2009

24. Theoretical characterization of carrier compensation in P-doped diamond
C. X. Yan, Y. Dai, M. Guo, B. B. Huang
Appl. Surf. Sci., 255(7), 3994-4000,2009

25. Effect of Excess Hydrogen on the Electronic Properties of Passivated Diamond,
C. X. Yan, Y. Dai, R. Long, H. Jiang, B.B.Huang, R. Q. Zhang , W. J. Zhang and I. Bello
J.Phys.Chem.Solid, 70,307,2009

26. 可见光光催化研究新进展
黄柏标 王朋 张晓阳 秦晓燕 戴瑛
科学通报. Vol. 54 (6):847-847，2009

2008年：

1. Enhanced ferromagnetism and tunable saturation magnetization of Mn/C-codoped GaN nanostructures synthesized by carbothermal nitridation.
Zeyan Wang, Baibiao Huang, Lin Yu, Ying Dai, Peng Wang, Xiaoyan Qin, Xiaoyang Zhang, Jiyong Wei, Jie Zhan, Xiangyang Jing, Haixia Liu and Myung-Hwan Whangbo
J.Am.Chem.Soc. 130(48), 16366-16373, 2008

2. Ag@AgCl: A Highly Efficient and Stable Photocatalyst Active under Visible Light ,
Peng Wang, Baibiao Huang, Xiaoyan Qin, Xiaoyang Zhang, Ying Dai , Jiyong Wei, Myung-Hwan Whangbo
Angew. Chem. Int. Ed. 41,7931,2008

3. Composite semiconductor H2WO4.H2O/AgCl as an efficient and stable photocatalyst under visible light,
Peng Wang, Baibiao Huang, Xiaoyang Zhang, Xiaoyan Qin, Ying Dai, Hao Jin, Jiyong Wei and Myung-Hwan Whangbo
Chem.Eur.J, 14, 10543, 2008

4. Density Functional Characterization of the Band Edges, the Band Gap States, and the Preferred Doping Sites of Halogen-Doped TiO2,
Kesong Yang,Ying Dai, Baibiao Huang, and Myung-Hwan Whangbo,
Chem.Mater.,20,6528,2008 10.1021/cm801741m

5. On the possibility of ferromagnetism in carbon-doped anatase TiO2,
Kesong Yang,Ying Dai, Baibiao Huang, and Myung-Hwan Whangbo,
Appl.Phys.Lett. 93, 132507，2008

6. Origin of the Visible Light Absorption of GaN-Rich Ga1-x ZnxN1-xOx (x= 0.125) Solid Solution,
Wei Wei, Ying Dai, Kesong Yang, Meng Guo, and Baibiao Huang
J.Phys.Chem.C, 112(40), 15915–15919,2008

7. Density functional characterization of B doping at rutile TiO2(110) surface， Hao Jin, Ying Dai, Wei Wei and Baibiao Huang
J.Phys.D: Appl.Phys. 41 195411,2008.

8. First principles studies for formation mechanism and properties of ethylene molecule adsorbing on diamond (100) Surface
Hao Jin, Ying Dai, Run Long, Meng Guo, Baibiao Huang, and Ruiqin Zhang
J.Chem.Phys. 128, 114710 (2008)

9. Structural, Electronic, and Optical Properties of N-doped SnO2,
Xueqin Sun, Run Long, Xiufeng Cheng, Xian Zhao,*,Ying Dai,*, and Baibiao Huang
J.Phys.Chem.C 112, 9861,2008

10. The electronic properties and electron affinity of the hydrogenated nanodiamonds with surface reconstructions
Zhenkui Zhang, Ying Dai, Baibiao Huang
Appl.Surf.Sci.,255,2623-2626, 2008

11. Study of vacancy on diamond (100) (2×1) surface from first-principles
Run Long, Ying Dai, LinYu, Hao Jin, Baibiao Huang
Appl.Surf.Sci.,254,6478,2008

12. First-principles Calculations for Geometrical Structures and Electronic Properties of Si-doped TiO2, Kesong Yang, Ying Dai and Baibiao Huang
Chem. Phys. Lett., 456, 71 (2008)

13. Atomic geometry and electronic structure of defects in Zn3N2
Long, R. Dai, Y. Yu, L. Huang, B. B.and Han,S.H.
Thin Solid Films, 516,1297 (2008)

14. First-principles Study of heavily B-doped silicon
Long,R. Dai,Y. Huang, B.B. Sun,X.Q.
Comput. Mater. Sci., 42, 161 (2008)

15. Characterization of diamond (100) surface with oxygen termination
Long, R. Dai, Y. Guo, M.
Appl.Surf.Science, 254(9),2851(2008)

16. Effect of B-complexes on lattice structure and electronic properties in heavily boron-doped diamond
Run Long, Ying Dai, Meng Guo, Lin Yu, Baibiao Huang, Ruiqin Zhang and Wenjun Zhang
Diam.Relat. Mater., 17, 234 (2008)

17. Investigation of Low-Resistivity from Hydrogenated Lightly B-doped Diamond by Ion Implantation
C.X. Yan, Y.Dai, M.Guo, L.Yu, D.H.Liu, B.B.Huang, R.Q.Zhang, W.J.Zhang, I.Bello
Sci.Technol Adv Mat.9 (2008) 025014

18. Structural, electrical and optical properties of zirconium-doped zinc oxide films prepared by radio frequency magnetron sputtering
Maoshui Lv, Xianwu Xiu, Zhiyong Pang, Ying Dai, Lina Ye, Chuanfu Cheng, Shenghao Han
Thin Solid Films, 516(8), 2017-2021，2008

19. Theoretical study of structural, optical and electrical properties of zirconium-doped zinc oxide, Fenggong Wang, Maoshui Lv, Zhiyong Pang, Tianlin Yang, Ying Dai, Shenghao Han
Appl.Surf.Sci. 254, 6983,2008

20. Structural,Elastic,and Electronic Properties of ReB2: A First-Principles Calculation, Run Long, Ying Dai, Hao Jin, and Baibiao Huang,
Research Letters in Physics ，1. 2008，2008

2007年：

1. Study of Nitrogen-concentration Influence on N-doped TiO2 Anatase from First-principles Calculations,
Kesong Yang, Ying Dai, Baibiao Huang，
J. Phys. Chem. C. 111(32), 12086-12090, 2007.

2. Origin of the photoactivity in boron-doped anatase and rutile TiO2 calculated from first principles.
Kesong Yang, Ying Dai, and Baibiao Huang,
Phys. Rev. B. 76, 195201, 2007.

3. Understanding Photocatalytic Activity of S- and P-doped TiO2 under Visible Light from First-Principles.
Kesong Yang, Ying Dai, Baibiao Huang,
J. Phys. Chem. C. 111, 18985, 2007.

4. Structural and electronic properties of oxygen-adsorbed diamond (100) Surface, Run Long, Ying Dai and Lin Yu,
J. Phys. Chem. C. 111(2), 855-859, 2007

5. Structural, electronic and optical properties of oxygen defect in Zn3N2,
Run Long, Ying Dai, Lin Yu, Meng Guo, and Baibiao Huang,
J. Phys. Chem. B 111, 3379-3383, 2007

6. Effect of boron on the superconducting transition of heavily-doped diamond, Y. Dai, Run Long, B. B. Hang, Zhenkui Zhang.
Diam. Relat. Mat. 16/2,353-358, 2007

7. Theoretical study of differences between surface and bulk electronic states in Cu clusters, Y. Dai, B. B. Huang, R. Long, L. Yu,
Solid States Phenomena. 121-123, 1189-1192, 2007

8. Native defects and impurities in Zn3N2: first-principles studies using gradient-correction approximation,
Long, R. Dai, Y. Guo, M. Zhang, Z. K. and Yang, K. S.
Physica Scripta ，T129,340-344 ，2007

9. Transparent conducting molybdenum-doped zinc oxide films deposited by RF magnetron sputtering, Xianwu Xiu, Zhiyong Pang, Maoshui Lv, Ying Dai, Lina Ye , Shenghao Han ,
Appl.Surf. Sci., 253（6),3345,2007

10. Ar Pressure Dependence of the Properties of Molybdenum-doped ZnO Films Grown by RF Magnetron Sputtering,
Xianwu Xiu, Zhiyong Pang, Maoshui Lv, Ying Dai, Lina Ye and Shenghao Han,
J. Mater. Sci. Technol., 23(4),509,2007

11. Effect of RF power on the properties of transparent conducting zirconium-doped zinc oxide films prepared by RF magnetron sputtering,
Lü Mao-Shui, Pang Zhi -Yong, Xiu Xian-Wu, Dai Ying and Han Sheng-Hao,
Chinese Phys. 16(2), 548-552,2007

12. 沉淀法制备不同形貌和结构的纳米BiVO4,
高善民, 乔青安,赵培培, 陶芙蓉, 张江, 戴瑛, 黄柏标.
Chin. J Inorg. Chem.,23(7),1153,2007

1. Theoretical study of N-doped TiO2 rutile crystals,
Kesong Yang, Ying Dai, Baibiao Huang, Shenghao Han,
J. Phys. Chem. B, 110, 24011,2006.

2. Effects of surface oxygen on the electronic properties of silicon nanoclusters, Ying Dai, Baibiao Huang, Lin Yu, Shenghao Han, Dadi Dai.
Int. J of Nanosci., 5, 13,2006

3. Influence of the deposition pressure on the properties of transparent conducting zirconium-doped zinc oxide films prepared by RF magnetron sputtering， Maoshui Lv, Xianwu Xiu, Zhiyong Pang, Ying Dai, Shenghao Han,
Appl. Surf. Sci. 252, 5687,2006

4. P-型金刚石欧姆接触的研究,
龙闰, 戴瑛, 刘东红, 俞琳, 闫翠霞,
半导体技术, 31, 44, 2006

5. B离子注入引起的金刚石薄膜体积膨胀现象,

 闫翠霞, 戴瑛, 刘东红,
光散射学报, 18, 89,2006

6. 硼/氢掺杂金刚石薄膜导电特性研究,
刘东红, 闫翠霞, 俞琳, 胡连军, 龙闰, 戴瑛
半导体技术 31, 495,2006

7. Na2SO4辅助水热合成SnO2纳米晶， 高善民、杨玮,姜炜,于忠玺,戴瑛,黄柏标，精细化工, 23，113,

CuAlO2纳米晶的水热-分解制备及表征, 高善民、张江、王群、戴瑛、黄柏标，
功能材料，37,117,2006

8. β-甲壳质纳米颗粒的制备与热稳定性, 张江 高善民 戴瑛 黄柏标,
精细化工, 23，113,2006

9. N-type electric conductivity of nitrogen-doped ultrananocrystalline diamond films,
Ying Dai, Dadi Dai, Cuixia Yan, Baibiao Huang, and Shenghao Han,
Phys. Rev. B 71, 075421,2005

10. Efects of hydrogen on electronic properties of doped diamond,
Y. Dai, C. X. Yan, A. Y. Li, Y. Zhang, S. H. Han,
Carbon, 43, 1009,2005

11.  Size-dependent metal-nonmetal change of groups IB and IIB metal clusters,
Y. Dai, D. Dai, B. Huang, and C. Yan,
Eur. Phys. J. D 34, 105,2005

12. Fermi-energy and minimum diameter for metallic silver cluster,
B. Huang, Y. Dai, R.Long, C.X. Yan,
Int. J. Mod. Phys. B, 19, 2404,2005

13. 俞琳, 刘东红, 胡连军, 戴瑛, 龙闰, 闫翠霞,
氘化硼掺杂金刚石n-型电导的研究,
功能材料, 12, 1837,2005

14. Transparent conducting zirconium-doped zinc oxide films prepared by rf magnetron sputtering,
Maoshui Lv, Xianwu Xiu, Zhiyong Pang, Ying Dai, Shenghao Han,
Appl. Surf. Sci., 252, 2006–2011,2005

15. The mechanism of p-type-to-n-type conductivity conversion in boron doped diamond,
Ying Dai, Dadi Dai et al.
Appl. Phys. Lett. 84, 1895, 2004

16. Complex donors in nitrogen-doped diamond.
Ying Dai, Anyi Li et al.
Int. J of Nanosci. 3, 455,2004

17. Ying Dai, Baibiao Huang and Dadi Dai. The role of dangling-bond, hydrogen and adsorbate in diamond surface conduction,
Diam. Relat. Mat. 12, 15,2003

18. Y. Dai and S. H. Han et al. Surface passivants effects on electronic states of the band edge in Si-nanocrystals,
Sold. State. Comm. 126, 103, 2003

19. Study of dangling-bond effect of n-type doping in diamond by means of density functional theory,
Ying Dai, Shenghao Han, Dadi, Dai.
Mat. Sci. & Eng. B 99, 531, 2003

20. Multiphoton selective dissociation of a HF molecule in intense laser fields by Lie algebra method,
Ying Dai, Zhihui Geng, Shiliang Ding.
Phys. Rev. A. 66, 043415, 2002. [Virtual J. of Ultra. Sci. 2002, 1(6)]

21. Theoretical research of multiphoton transition of HF in static electric and laser fields.
Zhihui Geng, Ying Dai.
Mol. Phys. 100, 1579, 2002

22. Lie Algebraic method of multiphoton rovibrational transition of diatomic molecule in intense laser fields.
Zhihui Geng, Ying Dai, Shiliang Ding.
Chem. Phys. 278, 119, 2002

23.  Enhancement of the point defect pinning effect in mo-doped Bi2212 single crystals of reduced anisotropy.
S. H. Han, C.H. Cheng, Y. Dai, Y. Zhang, H. Zhang, and Y. Zhao.
Sup.Sci.Technol. 15, 1725,2002

24. Study on multiphoton processes in intense laser fields using the quadratic anharmonic Lie algebraic hamiltonian of diatomic molecule.
Ying Dai, Dadi Dai, Shiliang Ding.
Chem. Phys. 271, 71, 2001

25. 镧系水合离子的密度泛函理论研究,
Ying Dai, Lemin Li
化学学报, 59 (2),168, 2001

26.  密度泛函理论处理激发态和多重态结构,
Ying Dai, Lemin Li.
化学进展, 13, No. 3, 2001

27. 大体系中局域活性泛函空间的构造方法
Ying Dai, Lemin Li.
北京大学学报. 37 (2), 149, 2001

28.  (CH3)3M/PH3 (M=Ga,In) 体系的密度泛函理论研究,
冯华升，戴瑛，黎乐民,
化学学报， 58 (12), 1546, 2000

29. Me_3In?PH_3加合物的密度泛函理论研究,
冯华升, 戴瑛, 黎乐民,
人工晶体学报, S1, 44, 2000

30. Algebraic method for treating the multiphoton selective Excitation of the linear triatomic molecule HCN in intense laser fields.
Y. Dai，S. L. Ding.
J of Mol. Struct. (Theochem), 528, 85, 2000

31. Y. Dai，S. L. Ding. Lie Algebraic Approach to Multiphoton Excitation of Diatomic Molecules in Intense Laser Fields,
Int. J. Quant. Chem. 71 (2), 201, 1999

32. 用二次型非谐振子模型研究强激光场中双原子分子多光子选择激发,
戴瑛, 丁世良, 
物理学报, 7 (6)，922, 1998

33. 强激光场中NO分子多光子选择激发-含时薛定鄂方程的代数解法,
戴瑛, 丁世良,
分子科学学报，13（4），226, 1997

34. Mn((15-冠-5)NCS)2 的晶体和分子结构,
魏云鹤，戴瑛，黄柏标,
高等学校化学学报，18（2）, 193, 1997

[1] Calculations and Simulations of Low-Dimensional Materials: Tailoring Properties for Applications

    Ying Dai, Wei Wei, Yandong Ma,Chengwang Niu.  2022, Wiley 出版社

[2] 2017年， 译著 《二维纳米材料》，国防工业出版社