国家/地区 China（2）
关键词 DENSITY FUNCTIONAL THEORY（2）
出版物
出版时间
机构
作者 LI KJ（2）

A density functional theory study on the adsorption reaction mechanism of double CO2 on the surface of graphene defects

JOURNAL OF MOLECULAR MODELING

ZHANG SJ, LIANG Z, LI KJ, ZHANG JL, REN S

Ab Initio Investigation of the Adsorption of CO2 Molecules on Defect Sites of Graphene Surfaces: Role of Local Vacancy Structures

MATERIALS

WANG C, WANG ZM, ZHANG SJ, ZHANG JL, LI KJ