解晓宇
研究员
所属院部: 化学与化工学院
访问次数:
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基本信息
  • 教师英文名称:
    Xiaoyu Xie
  • 教师拼音名称:
    Xie Xiao Yu
  • 电子邮箱:
  • 入职时间:
    2024-02-02
  • 所在单位:
    化学与化工学院
  • 学历:
    博士研究生毕业
  • 办公地点:
    山东大学青岛校区图书馆8楼888
  • 性别:
  • 学位:
    理学博士学位
  • 在职信息:
    在职
  • 毕业院校:
    南京大学
教师简介

解晓宇,山东大学齐鲁青年学者、研究员。研究方向为分子和分子聚集体体系中激发态及激发态过程的理论研究,包括激发态的电子结构和量子动力学、基于从头算的聚集体中激子结构模型化、激发态材料性质的快速计算以及在有机半导体材料中的计算应用。以第一作者或通讯作者身份发表包括Nat. Chem., Angew. Chem., J. Chem. Theory Comput., WIREs Comput. Mol. Sci., J. Chem. Phys., J. Phys. Chem. Lett., J. Mater. Chem. C等期刊论文19篇。


CV: CV.pdf



教育经历
  • 2014-09  — 2019-12
    南京大学
    化学
    理学博士学位
  • 2010-09  — 2014-06
    南京大学
    化学
    理学学士学位
工作经历
  • 2020-03 — 2023-08
    利物浦大学
    博士后
  • 2024-02 — 2500-01
    山东大学
    研究员
研究领域

分子聚集体激发态

阿秒电子动力学

复杂体系量子动力学

科研成果
论文

1.  Zhangxia Wang , Xiaoyu Xie  and Haibo Ma. Theoretical Investigation of Singlet Fission Processes in Organic Photovoltaics.  WIREs Computational Molecular Science,  15,  e70002, 2025. 

2.  Yifan Cheng , Zhaoxuan Xie , Xiaoyu Xie  and Haibo Ma. Efficient Simulation of Inhomogeneously Correlated Systems Using Block Interaction Product States.  Journal of chemical theory and computation,  2024. 

3.  Xia Wu , Xiaoyu Xie  and Alessandro Troisi. Calibration of Several First Excited State Properties for Organic Molecules through Systematic Comparison of TDDFT with Experimental Spectra.  Journal of Materials Chemistry C,  12,  18886-18892, 2024. 

4.  Yuan Liu , Xiaoyu Xie , Qingyuan Wang , Desheng Chen , Dehui Qiu , Xinrong Yan , Lichao Guo , Quanchi Chen , Xiaobo Zhang  and Huangxian Ju. Lighting and Rapid Detection of the Coronavirus S Protein Using Computationally Speculated Ligand and Its Application in SARS-CoV-2.  Sensors and Actuators B: Chemical,  418,  136284, 2024. 

5.  Ke Wang , Yihe Xu , Xiaoyu Xie  and Haibo Ma. Theoretical Investigation of Distal Charge Separation in a Perylenediimide Trimer.  The Journal of Chemical Physics,  160,  16430, 2024. 

6.  Zhangxia Wang , Xiaoyu Xie  and Haibo Ma. Simultaneous Intra- and Intermolecular Singlet Fission in Bipentacene Macrocycle Aggregates.  The Journal of Physical Chemistry Letters,  15,  3523–3530, 2024. 

7.  Changchun Ding , Xiaoyu Xie , Linjiang Chen  and Alessandro Troisi. Intuitive and Efficient Approach to Determine the Band Structure of Covalent Organic Frameworks from Their Chemical Constituents.  Journal of Chemical Theory and Computation,  20,  1252-1262, 2024. 

8.  Yuli Lei , Xiaoyu Xie , Haibo Ma  and Jing Ma. Vitality of Intralayer Vibration in hBN for Effective Long-Range Interlayer Hole Transfer across High Barriers in MoSe2/hBN/WSe2 Heterostructures.  The Journal of Physical Chemistry Letters,  14,  11190–11199, 2023. 

9.  Zhangxia Wang , Xuexiao Yang , Haibo Ma  and Xiaoyu Xie. Optimizing Through-Space Interaction for Singlet Fission by Using Macrocyclic Structures.  Journal of Materials Chemistry C,  11,  6856-6866, 2023. 

10.  Xiaoyu Xie  and Alessandro Troisi. Identification via Virtual Screening of Emissive Molecules with a Small Exciton–Vibration Coupling for High Color Purity and Potential Large Exciton Delocalization.  The Journal of Physical Chemistry Letters,  14,  4119–4126, 2023. 

11.  Lei Shi , Xiaoyu Xie  and Alessandro Troisi. Rapid Calculation of Internal Conversion and Intersystem Crossing Rate for Organic Materials Discovery.  The Journal of Chemical Physics,  157,  134106, 2022. 

12.  Xiaoyu Xie  and Alessandro Troisi. Evaluating the Electronic Structure of Coexisting Excitonic and Multiexcitonic States in Periodic Systems: Significance for Singlet Fission.  Journal of Chemical Theory and Computation,  18,  394–405, 2022. 

13.  Zhiwei Wang , Heyuan Liu , Xiaoyu Xie , Chunfeng Zhang , Rui Wang , Lan Chen , Yihe Xu , Haibo Ma , Weihai Fang , Yao Yao , Hai Sang , Xiaoyong Wang , Xiyou Li  and Min Xiao. Free-Triplet Generation with Improved Efficiency in Tetracene Oligomers through Spatially Separated Triplet Pair States.  Nature Chemistry,  13,  559–567, 2021. 

14.  Xiaoyu Xie , Chunfeng Zhang  and Haibo Ma. Charge Transfer via Deep Hole in the J51/N2200 Blend.  The Journal of Chemical Physics,  153,  054705, 2020. 

15.  Xiaoyu Xie , Yuyang Liu , Yao Yao , Ulrich Schollwöck , Chungen Liu  and Haibo Ma. The Time-Dependent Density Matrix Renormalization Group Quantum Dynamics for Realistic Chemical Systems.  The Journal of Chemical Physics,  151,  224101, 2019. 

16.  Xiaobo Zhang , Weiwei Chen , Xiaoyu Xie , Yuyi Li , Desheng Chen , Zhicong Chao , Chenghui Liu , Haibo Ma , Ying Liu  and Huangxian Ju. Boosting Luminance Energy Transfer Efficiency in Upconversion Nanoparticles with an Energy Concentrated Zone.  Angewandte Chemie,  131,  12245-12250, 2019. 

17.  Xiaoyu Xie , Alejandro Santana-Bonilla , Weihai Fang , Chungen Liu , Alessandro Troisi  and Haibo Ma. An Exciton-Phonon Interaction Model for Singlet Fission in Prototypical Molecular Crystals.  Journal of Chemical Theory and Computation,  15,  3721–3729, 2019. 

18.  Xiaoyu Xie , Alejandro Santana-Bonilla  and Alessandro Troisi. Nonlocal Electron-Phonon Coupling in Prototypical Molecular Semiconductors from First Principles.  Journal of Chemical Theory and Computation,  14,  3752–3762, 2018. 

19.  Xiaoyu Xie  and Haibo Ma. Opposite Anisotropy Effects of Singlet and Triplet Exciton Diffusion in Tetracene Crystal.  ChemistryOpen,  5,  201-205, 2016. 

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