Weiwei Xie (谢伟伟)
Weiwei Xie (谢伟伟)
College of Chemistry, Nankai University, Tianjin, China
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Efficient blue light emitting diodes based on europium halide perovskites
J Luo, L Yang, Z Tan, W Xie, Q Sun, J Li, P Du, Q Xiao, L Wang, X Zhao, ...
Advanced Materials 33 (38), 2101903, 2021
Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine
W Xie, M Sapunar, N Došlić, M Sala, W Domcke
The Journal of chemical physics 150 (15), 2019
Explicit system-bath correlation calculated using the hierarchical equations of motion method
L Zhu, H Liu, W Xie, Q Shi
The Journal of Chemical Physics 137 (19), 2012
Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol
W Xie, W Domcke
The Journal of Chemical Physics 147 (18), 2017
Calculation of electron transfer rates using mixed quantum classical approaches: Nonadiabatic limit and beyond
W Xie, S Bai, L Zhu, Q Shi
The Journal of Physical Chemistry A 117 (29), 6196-6204, 2013
Exploration of Nontoxic Cs3CeBr6 for Violet Light-Emitting Diodes
L Wang, Q Guo, J Duan, W Xie, G Ji, S Li, C Chen, J Li, L Yang, Z Tan, ...
ACS Energy Letters 6 (12), 4245-4254, 2021
Charge and exciton transfer simulations using machine-learned Hamiltonians
M Krämer, PM Dohmen, W Xie, D Holub, AS Christensen, M Elstner
Journal of chemical theory and computation 16 (7), 4061-4070, 2020
Designing Quinone‐Based Anodes with Rapid Kinetics for Rechargeable Proton Batteries
X Yang, Y Ni, Y Lu, Q Zhang, J Hou, G Yang, X Liu, W Xie, Z Yan, Q Zhao, ...
Angewandte Chemie International Edition 61 (39), e202209642, 2022
Multi-faceted spectroscopic mapping of ultrafast nonadiabatic dynamics near conical intersections: A computational study
K Sun, W Xie, L Chen, W Domcke, MF Gelin
The Journal of Chemical Physics 153 (17), 2020
Modulating 3d Orbitals of Ni Atoms on Ni‐Pt Edge Sites Enables Highly‐Efficient Alkaline Hydrogen Evolution
M Zhou, H Li, A Long, B Zhou, F Lu, F Zhang, F Zhan, Z Zhang, W Xie, ...
Advanced Energy Materials 11 (36), 2101789, 2021
Photoinduced electron-driven proton transfer from water to an N-heterocyclic chromophore: nonadiabatic dynamics studies for pyridine–water clusters
X Pang, C Jiang, W Xie, W Domcke
Physical Chemistry Chemical Physics 21 (26), 14073-14079, 2019
High-efficiency lithium-ion transport in a porous coordination chain-based hydrogen-bonded framework
Z Han, R Zhang, J Jiang, Z Chen, Y Ni, W Xie, J Xu, Z Zhou, J Chen, ...
Journal of the American Chemical Society 145 (18), 10149-10158, 2023
Performance of mixed quantum-classical approaches on modeling the crossover from hopping to bandlike charge transport in organic semiconductors
W Xie, D Holub, T Kubař, M Elstner
Journal of Chemical Theory and Computation 16 (4), 2071-2084, 2020
Ab initio surface-hopping simulation of femtosecond transient-absorption pump–probe signals of nonadiabatic excited-state dynamics using the doorway–window representation
MF Gelin, X Huang, W Xie, L Chen, N Došlić, W Domcke
Journal of Chemical Theory and Computation 17 (4), 2394-2408, 2021
Revealing the role of d orbitals of transition-metal-doped titanium oxide on high-efficient oxygen reduction
F Lu, W Xie, D Yi, Y Wang, F Zhang, Y Xu, B Zhou, S Liu, X Wang, J Yao
CCS Chemistry 3 (11), 180-188, 2021
Interplay of structural dynamics and electronic effects in an engineered assembly of pentacene in a metal–organic framework
R Haldar, M Kozlowska, M Ganschow, S Ghosh, M Jakoby, H Chen, ...
Chemical science 12 (12), 4477-4483, 2021
Photoinduced water oxidation in pyrimidine–water clusters: a combined experimental and theoretical study
X Huang, JP Aranguren, J Ehrmaier, JA Noble, W Xie, AL Sobolewski, ...
Physical Chemistry Chemical Physics 22 (22), 12502-12514, 2020
HAB79: A new molecular dataset for benchmarking DFT and DFTB electronic couplings against high-level ab initio calculations
OG Ziogos, A Kubas, Z Futera, W Xie, M Elstner, J Blumberger
The Journal of Chemical Physics 155 (23), 2021
Mixed quantum classical calculation of proton transfer reaction rates: From deep tunneling to over the barrier regimes
W Xie, Y Xu, L Zhu, Q Shi
The Journal of Chemical Physics 140 (17), 2014
A New Trajectory Branching Approximation To Propagate the Mixed Quantum-Classical Liouville Equation
S Bai, W Xie, Q Shi
The Journal of Physical Chemistry A 118 (39), 9262-9271, 2014
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