Qinghai Cai

Coordination tunes the activity and selectivity of the nitrogen reduction reaction on single-atom iron catalysts: a computational study

Dongxu Jiao, Yuejie Liu, Qinghai Cai et al. · Journal of Materials Chemistry A · 2020 · 197 citations

Materials Science, Inorganic Chemistry, Chemical Engineering +14

Gas adsorption on silicene: A theoretical study

Jingwen Feng, Yue-jie Liu, Hongxia Wang et al. · Computational Materials Science · 2014 · 169 citations

Molecular Sieve, Engineering, Gas Adsorption +6

Phosphorus-doped graphene and (8, 0) carbon nanotube: Structural, electronic, magnetic properties, and chemical reactivity

Hongmei Wang, Hongxia Wang, Ying Chen et al. · Applied Surface Science · 2013 · 165 citations

Materials Science, Phosphorus-doped Graphene, Engineering +8

Nitrogen electroreduction performance of transition metal dimers embedded into N-doped graphene: a theoretical prediction

Hongyan Li, Zhifeng Zhao, Qinghai Cai et al. · Journal of Materials Chemistry A · 2020 · 158 citations

Materials Science, Graphene Nanomeshes, Oxygen Reduction Reaction +14

CO₂electroreduction performance of a single transition metal atom supported on porphyrin-like graphene: a computational study

Zhongxu Wang, Jingxiang Zhao, Qinghai Cai · Physical Chemistry Chemical Physics · 2017 · 139 citations