Quan‐De Wang

Reactive molecular dynamics simulation and chemical kinetic modeling of pyrolysis and combustion of n-dodecane

Quan‐De Wang, J. Wang, Juanqin Li et al. · Combustion and Flame · 2010 · 256 citations

Chemical Engineering, Chemical Kinetics, Engineering +8

ReaxFF Molecular Dynamics Simulations of Oxidation of Toluene at High Temperatures

Xue‐Min Cheng, Quan‐De Wang, Juanqin Li et al. · The Journal of Physical Chemistry A · 2012 · 159 citations

Engineering, Oxidation Resistance, Material Simulation +21

Novel silicon-doped, silicon and nitrogen-codoped carbon nanomaterials with high activity for the oxygen reduction reaction in alkaline medium

Ziwu Liu, Xin Fu, Meng Li et al. · Journal of Materials Chemistry A · 2015 · 91 citations

Materials Science, Oxygen Reduction Reaction, Engineering +11

Phosphorous‐Doped Graphite Layers with Outstanding Electrocatalytic Activities for the Oxygen and Hydrogen Evolution Reactions in Water Electrolysis

Ziwu Liu, Jie Ai, Maomao Sun et al. · Advanced Functional Materials · 2020 · 86 citations

Materials Science, Carbon Catalysts, Oxygen Reduction Reaction +14

Effectively improving the accuracy of PBE functional in calculating the solid band gap via machine learning

Zhongyu Wan, Quan‐De Wang, Dongchang Liu et al. · Computational Materials Science · 2021 · 75 citations

Materials Science, Engineering, Machine Learning +7