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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
2062015
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
832016
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
802018
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
782017
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
642018
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
642015
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
602018
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
582017
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
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
382010
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
362019
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
322018
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
312018
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
302019
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
302012
Mechanical size effects of amorphous polymer-derived ceramics at the nanoscale: experiments and ReaxFF simulations
A Vashisth, S Khatri, SH Hahn, W Zhang, ACT van Duin, M Naraghi
Nanoscale 11 (15), 7447-7456, 2019
282019
Multiscale Modeling of Structure, Transport and Reactivity in Alkaline Fuel Cell Membranes: Combined Coarse-Grained, Atomistic and Reactive Molecular Dynamics Simulations
D Dong, W Zhang, A Barnett, J Lu, A van Duin, V Molinero, D Bedrov
Polymers 10 (11), 1289, 2018
232018
ReaxFF reactive molecular dynamics simulations to study the interfacial dynamics between defective h-BN nanosheets and water nanodroplets
A Verma, W Zhang, ACT van Duin
Physical Chemistry Chemical Physics 23 (18), 10822-10834, 2021
212021
Atomistic Insights into Cu Chemical Mechanical Polishing Mechanism in Aqueous Hydrogen Peroxide and Glycine: ReaxFF Reactive Molecular Dynamics Simulations
J Wen, T Ma, W Zhang, ACT van Duin, DM van Duin, Y Hu, X Lu
The Journal of Physical Chemistry C 123 (43), 26467-26474, 2019
212019
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
202018
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