个人简介
教育经历
2011.9-2016.6北京师范大学化学学院，理论与计算化学专业，获理学博士学位
工作经历
2016.7-2019.11华南师范大学化学学院， 师资博士后
2019.12-至今华南师范大学化学学院， 特聘研究员
讲授课程
环境化学、无机化学实验
课题项目
1.光敏色素发色团光诱导激发态反应机理的理论研究，国家自然科学基金青年项目
2.发展统一描述内转换和系间事越无辐射跃迁的非绝热直接动力学方法及其在激发态质
子转移过程中的应用，广东省自然科学基金青年项目
3.复杂体系非绝热直接动力学方法发展和程序实现，中国博士后科学基金面上资助项目
近期论文
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(1) Yue, L: Yu,L:; Xu, C: Zhu, C: Liu, Y Quantum Yields of Singlet and Triplet Chemiexcitation of Dimethy1 1.2-Dioxetane: Ab Initio Nonadiabatic Molecular Dynamic Simulations. Physical Chemistry Chemical Physics 2020, 22, 11440-11451.
(2) Ye, L: Xw, C.: Gu, F. L: Zhu, C. Functional and Basis Set Dependence for Time _Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis-Azobenzene Photoisomerization. Journal of Computational Chemistry 2020, 41, 635-645.
(3) Yang. X; Wang. Q: Hu, P: Xu. C: Guo, W:; Wang. Z;Mao, Z: Yang. Z: Liu, C; Shi G; Chen, L:Xu, B.: Chi, Z. Achieving Remarkable and Reversible Mechanochromism from a Bright Ionic Aiegen with High Specificity for Mitochondrial Imaging and Secondary Aggregation Emission Enhancement for
Long-Term Tracking of Tumors. Materials Chemistry Frontiers 2020. 4. 941-949.
(4) Liu, C: Chen, J; Xu, C: Hao, H: Xu B: Hu, D:; Shi, G; Chi, Z. Aiegens with Bright
Mechanoluminescence and Thermally Activated Delayed Fluorescence
Derived from(9h-Carbazol-9-YI)(Pheny1)Methanone. Dyes and Pigments 2020, 174.
(5) Lin, J; Zeng. C: Lin, X: Xu, C: Su, C.-Y. Cnt-Assembled Octalhedron Carbon-Encapsulated Cu3p/Cu Heterostructure by in Situ Mof-Derived Engineering for Superior Lithium Storage: Investigations by Experimental Implementation and First-Principles Calculation. Advanced Science 2020.
(6) Lin, J: Zeng. C: Chen, Y; Lin, X: Xu. C*; Su, C-Y In Situ Construction of a Mof-Derived Carbon-Encapsulated Licoo2 Heterostructure as a Superior Cathode for Elevated-Voltage Lithium Storage: From Experimental to Theoretical Study. Journal of Materials Chemistry A 2020.8, 6607-6618.
(7) Yang. Z:; Mao, Z:; Xu, C: Chen, X; Zhao,J; Yang. Z: Zhang. Y: Wu, W.; Jiao, S:;Liu, Y; Aldred, MP: Chi, Z. A Sterically Hindered Asymmetric D-a-D ' Thermally Activated Delayed Fluorescence Enitter forHighly Efficient Non-Doped Organic Light-Emitting Diodes. Chemical Science 2019. 10, 8129-8134.
(8) Xu. C: Wang. C:;Li, B:Hu,L.; Gu, F. L. Theoretical Study on the Reaction Mechanism of Oh Radicalwith Z(E)-Cf3ch=Chf. Physical Chemistry Chemical Physics 2019. 21, 1367-1374.
(9) Mao, Z:; Yang, Z; Xu. Ct; Xie, Z:; Jiang, L:Gu, F L; Zhao, J: Zhang, Y; Aldred, M P; Chi, Z.Two-Photon-Excited Ultralong Organic Roorm Temperature Phosphorescence by Dual-Channel Triplet Harvesting. Chemical Science 2019. 10, 7352-7357.
(10) Chen, Y; Xu, C.; Xu, B:Mao, Z;Li J.-A; Yang, Z; Peethani, N. R;Liu, C; Shi, G;Gu,F. L: Zhang. Y; Chi, Z. Chirality- Activated Mechanoluminescence from Aggregation-Induced Emission Enantiomers with High Contrast Mechanochromism and Force -Induced Delayed Fluorescence. MaterialsChemistry Frontiers 2019. 3, 1800-1806.
(11) Yang. B: Xu, C. Kookana, R. S.; Williams, M: Du, J; Ying. G; Gu, F. Aqueous Chlorination of Benzodiazepines Diazepam and Oxazepam: Kinetics, Transformation Products and Reaction Pathways.Chemical Engineering Journal 2018. 354, 1100-1109.
(12)Xu。 C: Yu, L: Gu, F. L: Zhu, C. Probing the Pi. > Pi* Photoisomerization Mechanism ofTrans-Azobenzene by Multi-State Ab Initio on-the-Fly Trajectory Dynamics Simulations. Physical Chemistry Chemical Physics 2018, 20, 23885-23897.
(13) Xu. C; Gu, F. L: Zhu, C. UItrafast Intersystem Crossing for Nitrophenols: Ab Initio Nonadiabatic Molecular Dynamics Simulation. Physical Chemistry Chemical Physics 2018, 20, 5606-5616.
(14)Xu, C: Gu, F. L: Zhu, C. An Excited-State Wolff Rarrangement Reaction of 5-Diazo Meldrum's Acid:An Ab Initio on-the Fly Nonadiabatic Dynamics Simulation. Physical Chemistry Chemical Physics 2018, 20,22681-22688.
(15) Lin, S.; Xu, C: Peng. D.: Peng. L: Yang. D:;Long. Y; Chang. Y; Gu, F L Study on the Mechanism ofPlatinum([i)-Catalyzed Asymmetric Ring-Opening Addition of Oxabicyclic Alkenes with Arylboronic Acids.Physical Chemistry Chemical Physics 2018, 20, 14105-14116.
(16) Hu, L; Xu. C Peng. L.: Gu, F L; Yang. W. Photocatalytic Activity and the Radiative Lifetimes of Excitons Via an Ab Initio Approach. Joumal of Materials Chemistry A 2018.6, 15027-15032.
(17) Yue, L; Yu, L:; Xu. C:Lei, Y; Liu, Y: Zhu, C. Benchmark Prformance of Global Switching Versus Local Switching for Trajectory Surface Hopping Molecular Dynamics Simulation: Cis <> Trans Azobenzene Photoisomerization. Chemphyschem 2017. 18. 1274-1287.
(18)Li, B:.Xu. C Xu, X: Zhu, C: Gu, F L. Remarkable Nonlinear Optical Response of Excess Electron Compounds: Theoretically Designed Allkali-Doped Aziridine M-(C2nh5)QN). Physical Chemitry Chemical Physics 2017, 19, 23951-23959.
(19)Xu, C: Yu, L: Zhu, C; Yu, J; Cao, Z. Intersystem Crossing -Branched Excited-State Intramolecular Proton Transfer for O-Nitrophenol: An Ab Initio on-the Fly Nonadiabatic Molecular Dynamic Simulation. Scientific Reports 2016. 6.
(20)Xu, C: Yang. L: Yu, J-G; Liao, R-Z. What Roles Do the Residue Asp229 and the Coordination Variation of Calcium Play of the Reaction Mechanism of the Disopropyl-Fluorophosphatase? A Dft Investigation. Theoretical Chemistry Accounts 2016. 135.
(21) Yu, L: Xu, C: Zhu, C. Probing the Pi > Pi* Photoisormerization Mechanism of Cis-Azobenzene by Multi-State Ab Initio on-the-Fly Trajectory Dynamics Simulation. Physical Chemistry Chemical Physics 2015, 17, 17646-17660.
(22) Xu C: Yu L: Zhu, C.: Yu, J. Photoisormerization Reaction Mechanisms of O-Nitrophenol Revealed by Analyzing Intersystem Crossing Network at the Mrci Level. Jourmal of Physical Chemistry A 2015, 119, 10441-10450.
(23) Yu,L: Xu, C:Lei Y; Zhu, C.: Wen, Z. Trajectory-Based Nonadiabatic Molecular Dynamics without Calculating Nonadiabatic Coupling in the Avoided Crossing Case: Trans <> Cis Photoisomerization in Azobenzene. Physical Chemistry Chemical Physics 2014, 16, 25883-25895.
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