Weiwei Zhang (张伟伟)
Weiwei Zhang (张伟伟)
School of Chemical Engineering and Technology, Tiangong University
Verified email at tiangong.edu.cn - Homepage
Title
Cited by
Cited by
Year
Aqueous proton transfer across single-layer graphene
JL Achtyl, RR Unocic, L Xu, Y Cai, M Raju, WW Zhang, RL Sacci, ...
Nature Communications 6, 6539, 2015
1632015
Atomic insight into tribochemical wear mechanism of silicon at the Si/SiO 2 interface in aqueous environment: Molecular dynamics simulations using ReaxFF reactive force field
J Wen, T Ma, W Zhang, G Psofogiannakis, ACT van Duin, L Chen, L Qian, ...
Applied Surface Science 390, 216-223, 2016
662016
Second-Generation ReaxFF Water Force Field: Improvements in the Description of Water Density and OH-Anion Diffusion
W Zhang, ACT van Duin
The Journal of Physical Chemistry B 121 (24), 6021-6032, 2017
522017
ReaxFF Reactive Molecular Dynamics Simulation of Functionalized Poly (phenylene oxide) Anion Exchange Membrane
W Zhang, ACT van Duin
The Journal of Physical Chemistry C 119 (49), 27727-27736, 2015
482015
Accelerated ReaxFF Simulations for Describing the Reactive Cross-Linking of Polymers
A Vashisth, C Ashraf, W Zhang, CE Bakis, ACT Van Duin
The Journal of Physical Chemistry A 122 (32), 6633-6642, 2018
462018
Improvement of the ReaxFF Description for Functionalized Hydrocarbon/Water Weak Interactions in the Condensed Phase
W Zhang, ACT van Duin
The Journal of Physical Chemistry B 122 (14), 4083-4092, 2018
462018
Atomistic mechanisms of Si chemical mechanical polishing in aqueous H2O2: ReaxFF reactive molecular dynamics simulations
J Wen, T Ma, W Zhang, ACT van Duin, X Lu
Computational Materials Science 131, 230-238, 2017
452017
Ab initio calculations on the intramolecular electron transfer rates of a bis (hydrazine) radical cation
WW Zhang, WJ Zhu, WZ Liang, Y Zhao, SF Nelsen
The Journal of Physical Chemistry B 112 (35), 11079-11086, 2008
422008
Grotthuss versus Vehicular Transport of Hydroxide in Anion-Exchange Membranes: Insight from Combined Reactive and Nonreactive Molecular Simulations
D Dong, W Zhang, ACT Van Duin, D Bedrov
The journal of physical chemistry letters 9 (4), 825-829, 2018
382018
Non-Condon effect on charge transport in dithiophene-tetrathiafulvalene crystal
WW Zhang, WZ Liang, Y Zhao
The Journal of chemical physics 133 (2), 024501, 2010
372010
Electron Mobilities of n-Type Organic Semiconductors from Time-Dependent Wavepacket Diffusion Method: Pentacenequinone Derivatives
WW Zhang, XX Zhong, Y Zhao
The Journal of Physical Chemistry A 116 (46), 11075-11082, 2012
312012
Cathodic Corrosion at the Bismuth–Ionic Liquid Electrolyte Interface under Conditions for CO2 Reduction
J Medina-Ramos, W Zhang, K Yoon, P Bai, A Chemburkar, W Tang, A Atifi, ...
Chemistry of Materials 30 (7), 2362-2373, 2018
232018
Benchmark of ReaxFF force field for subcritical and supercritical water
H Manzano, W Zhang, M Raju, JS Dolado, I López-Arbeloa, ...
The Journal of Chemical Physics 148 (23), 234503, 2018
192018
Development of the ReaxFF Methodology for Electrolyte–Water Systems
MV Fedkin, YK Shin, N Dasgupta, J Yeon, W Zhang, D Van Duin, ...
The Journal of Physical Chemistry A 123 (10), 2125-2141, 2019
182019
Surface Orientation and Temperature Effects on the Interaction of Silicon with Water: Molecular Dynamics Simulations Using ReaxFF Reactive Force Field
J Wen, T Ma, W Zhang, ACT van Duin, X Lu
The Journal of Physical Chemistry A 121 (3), 587-594, 2017
182017
Hydroxide transport and chemical degradation in anion exchange membranes: a combined reactive and non-reactive molecular simulation study
W Zhang, D Dong, D Bedrov, ACT van Duin
Journal of Materials Chemistry A 7 (10), 5442-5452, 2019
162019
Effect of Group Electronegativity on Electron Transfer in Bis (hydrazine) Radical Cations
HM Qin, XX Zhong, YB Si, WW Zhang, Y Zhao
The Journal of Physical Chemistry A 115 (14), 3116-3121, 2011
152011
Isotope Effects in Water: Differences of Structure, Dynamics, Spectrum, and Proton Transport between Heavy and Light Water from ReaxFF Reactive Force Field Simulations
W Zhang, X Chen, ACT Van Duin
The journal of physical chemistry letters 9 (18), 5445-5452, 2018
142018
Thermal Stability of Organic Monolayers Grafted to Si (111): Insights from ReaxFF Reactive Molecular Dynamics Simulations
FA Soria, W Zhang, ACT van Duin, EM Patrito
ACS Applied Materials & Interfaces, 2017
142017
Intramolecular Electronic Couplings in Class II/III Organic Mixed-Valence Systems of Bis (1, 4-dimethoxybenzene)
JH Yang, WW Zhang, YB Si, Y Zhao
The Journal of Physical Chemistry B 116 (48), 14126-14135, 2012
142012
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Articles 1–20