国家/地区 China（7）
关键词 ADSORPTION（2） DEFECTIVE GRAPHENE（2） DENSITY FUNCTIONAL .（2）
DFT SIMULATION（2） GRAPHENE（2）
出版物 CHEMPHYSCHEM（2）
出版时间 2014（4） 2017（2）
机构 SICHUAN UNIV（7）
作者 XUE Y（7）

Insight into Adsorption of C2H2 and H-2 on Doped Graphene with Nonmetallic Atom (N, P, S): A Density Functional Theory Study

JOURNAL OF NANOSCIENCE NANOTECHNOLOGY

HUANG LQ, CHU W, ZHOU X, ZHOU YN, XUE Y

A Time-Dependent DFT Study of the Absorption and Fluorescence Properties of Graphene Quantum Dots

CHEMPHYSCHEM

ZHAO ML, YANG F, XUE Y, XIAO D, GUO Y

Adsorption of HCN on reduced graphene oxides: a first-principles study

JOURNAL OF MOLECULAR MODELING

ZHAO ML, YANG F, XUE Y, XIAO D, GUO Y

CH4, CO2 and H2O Adsorption on Nonmetallic Atom-Decorated Graphene Surfaces

ACTA PHYSICOCHIMICA SINICA

LIU XQ, TIAN ZY, CHU W, XUE Y

Effects of Edge Oxidation on the Stability and Half-Metallicity of Graphene Quantum Dots

CHEMPHYSCHEM

ZHAO ML, YANG F, XUE Y, XIAO D, GUO Y

Enhanced interaction of nickel clusters with pyridinic-N (B) doped graphene using DFT simulation

COMPUTATIONAL THEORETICAL CHEMISTRY

ZHOU X, CHU W, SUN WJ, ZHOU YA, XUE Y

Enhanced hydrogen storage on Li-doped defective graphene with B substitution: A DFT study

APPLIED SURFACE SCIENCE

ZHOU YN, CHU W, JING FL, ZHENG J, SUN WJ, XUE Y