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.