国家/地区 China（3）
关键词 DFT（3）
出版物
出版时间 2013（3）
机构
作者

DFT Study of Xenon Complexes Adsorption on Graphene and Metal Embedded Graphene

ASIAN JOURNAL OF CHEMISTRY

HUANG B, YUAN DZ, CHEN BB

Density functional theory calculations on the adsorption of formaldehyde and other harmful gases on pure, Ti-doped, or N-doped graphene sheets

APPLIED SURFACE SCIENCE

ZHANG HP, LUO XG, LIN XY, LU X, LENG Y, SONG HT

Oxidation of Pd-n (n=1-5) clusters on single vacancy graphene: A first-principles study

COMPUTATIONAL THEORETICAL CHEMISTRY

JIA TT, LU CH, DING KN, ZHANG YF, CHEN WK