Zhi-Yue Tian

Molecular simulation of CH4, CO2, H2O and N2 molecules adsorption on heterogeneous surface models of coal

Xiaoqiang Liu, Xu He, Nianxiang Qiu et al. · Applied Surface Science · 2016 · 155 citations

Carbon Sequestration, Chemical Engineering, N2 Molecules Adsorption +11

Adsorption of CH4 on nitrogen- and boron-containing carbon models of coal predicted by density-functional theory

Xiaoqiang Liu, Ying Xue, Zhi-Yue Tian et al. · Applied Surface Science · 2013 · 71 citations

Carbon Sequestration, Chemical Engineering, Environmental Chemistry +9

A first-principle study of calcium-decorated BC2N sheet doped by boron or carbon for high hydrogen storage

Nianxiang Qiu, Zhi-Yue Tian, Yong Guo et al. · International Journal of Hydrogen Energy · 2014 · 54 citations

Materials Science, Boron Nitride, Engineering +8

Yttrium-dispersed B ₈₀ fullerenes: Promising materials for hydrogen storage

Wangxi Wu, Zhi-Yue Tian, Shichen Dong · Europhysics Letters (EPL) · 2015 · 16 citations

Materials Science, B80 Fullerenes, Engineering +14

How Dirhodium Catalyst Controls the Enantioselectivity of [3 + 2]-Cycloaddition between Nitrone and Vinyldiazoacetate: A Density Functional Theory Study

Xin Yang, Yongsheng Yang, Robert J. Rees et al. · The Journal of Organic Chemistry · 2016 · 11 citations

Chemical Engineering, Engineering, Natural Sciences +9