Published Date: 2017-04-22
Lihong Liu
Associate professor and Supervisor for M.D. candidates, Ph. D (Beijing Normal University)
Postal address: College of Chemistry, Beijing Normal University, Xinjiekouwaidajie 19, Beijing, 100875, China
Phone: +86-10-5880 6786
E-mail: lihong.liu@bnu.edu.cn
Research Interests
Mechanisms of photochemical reactions in gas phase and condense phase by electronic structure calculations and non-adiabatic dynamic simulations Development of quantum chemistry software packets Computational Materials Science
Representative papers
- Liu, L.; Fang, W.-H.; Long, R.; Prezhdo, O. V. Lewis Base Passivation of Hybrid Halide Perovskites Slows Electron-Hole Recombination: Time-Domain Ab Initio Analysis, The journal of physical chemistry letters, 2018, 9, 1164.
- Zhang, Z.; Liu, L.; Fang, W.-H.; Long, R.; Tokina, M. V.; Prezhdo, O. V. Plasmon-Mediated Electron Injection from Au Nanorods into MoS2: Traditional versus Photoexcitation Mechanism, Chem, 2018, 4, 1112.
- Liu, L.; Wang, Y.; Fang, Q., New insights into mechanistic photoisomerization of ethylene-bridged azobenzene from ab initio multiple spawning simulation, The Journal of chemical physics 2017, 146, 064308.
- Long, R.; Guo, M.; Liu, L. H.; Fang, W. H., Nonradiative Relaxation of Photoexcited Black Phosphorus Is Reduced by Stacking with MoS2: A Time Domain ab Initio Study, J. Phys. Chem. Lett. 2016, 7, 1830.
- Liu, L.; Liu, J.; Martinez, T. J., Dynamical Correlation Effects on Photoisomerization: Ab Initio Multiple Spawning Dynamics with MS-CASPT2 for a Model trans-Protonated Schiff Base, The Journal of Physical Chemistry B 2016, 120, 1940.
- Liu, L.; Fang, W.-H., New insights into photodissociation dynamics of cyclobutanone from the AIMS dynamic simulation, The Journal of Chemical Physics 2016, 144, 144317.
- Xie, B.; Liu, L.; Cui, G.; Fang, W.-H.; Cao, J.; Feng, W.; Li, X.-Q., Ab initio implementation of quantum trajectory mean-field approach and dynamical simulation of the N2CO photodissociation, The Journal of chemical physics 2015, 143, 194107.
- Liu, L.; Cui, G.; Fang, W.-H., Excited States and Photochemistry of Chromophores in the Photoactive Proteins Explored by the Combined Quantum Mechanical and Molecular Mechanical Calculations, Advances in protein chemistry and structural biology 2015, 100, 255.
- Liu, L.; Xia, S.; Fang, W.-H., Photodecarbonylation Mechanism of Cyclopropenone in the Gas Phase: Electronic Structure Calculation and AIMS Dynamics Simulation, J. Phys. Chem. A 2014, 118, 8977.
- Liu, L.; Yuan, S.; Fang, W.-H.; Zhang, Y., Probing Highly Efficient Photoisomerization of a Bridged Azobenzene by a Combination of CASPT2//CASSCF Calculation with Semiclassical Dynamics Simulation, J. Phys. Chem. A 2011, 115, 10027.
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