国家/地区 China（3）
关键词 MOLECULAR DYNAMIC（2） REACTION KINETIC（2） REAXFF（2）
出版物 CHEMICAL ENGINEERIN.（2）
出版时间 2021（3）
机构
作者 LI KJ（3）

Thermal behaviour during initial stages of graphene oxidation: Implications for reaction kinetics and mechanisms

CHEMICAL ENGINEERING JOURNAL

LI KJ, KHANNA R, ZHANG H, MA SF, LIANG Z, LI GY, BARATI M, ZHANG JL

Thermal behaviour, kinetics and mechanisms of CO2 interactions with graphene: An atomic scale reactive molecular dynamic study

CHEMICAL ENGINEERING JOURNAL

LI KJ, KHANNA R, ZHANG H, CONEJO A, MA SF, LIANG Z, LI GY, BARATI M, ZHANG JL

Adsorption and reaction mechanisms of single and double H2O molecules on graphene surfaces with defects: a density functional theory study

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

LIANG Z, LI KJ, WANG ZM, BU YS, ZHANG JL