国家/地区 China（4）
关键词 FIRST PRINCIPLE STU.（2） GRAPHENE（2）
出版物 COMPUTATIONAL MATERIALS SCIENCE（4）
出版时间 2012（2）
机构 CHINESE ACAD SCI（4）
作者 ZHAO YP（3） CHI M（2）

Band gap engineering in armchair-edged graphene nanoribbons by edge dihydrogenation

COMPUTATIONAL MATERIALS SCIENCE

ZHENG XH, HUANG LF, WANG XL, LAN J, ZENG Z

First principle study of the interaction and charge transfer between graphene and organic molecules

COMPUTATIONAL MATERIALS SCIENCE

CHI M, ZHAO YP

Adsorption of formaldehyde molecule on the intrinsic and Al-doped graphene: A first principle study

COMPUTATIONAL MATERIALS SCIENCE

CHI M, ZHAO YP

Using graphene to simplify the adsorption of methane on shale in MD simulations

COMPUTATIONAL MATERIALS SCIENCE

LIN K, YUAN QZ, ZHAO YP