国家/地区 China（3）
关键词 ACTIVE SITE（2） GRAPHENE SURFACE（2）
出版物
出版时间 2023（3）
机构
作者 LI KJ（3）

The Dynamic Nature of Graphene Active Sites in the H2O Gasification process: A ReaxFF and DFT Study

JOURNAL OF MOLECULAR MODELING

LIANG Z, LI KJ, GUO F, ZHANG H, BU YS, ZHANG JL

The effect of vacancy size on the oxidation process of graphene by CO2: A ReaxFF molecular dynamics study

DIAMOND RELATED MATERIALS

XIONG ZX, LIANG Z, BU YS, LI KJ, ZHANG H, ZHANG JL

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