国家/地区 China（6）
关键词 REAXFF（6）
出版物 CHEMICAL ENGINEERIN.（3） APPLIED SURFACE SCI.（2）
出版时间 2022（3） 2021（2）
机构
作者 LIANG Z（6）

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

High-temperature pyrolysis behavior and structural evolution mechanism of graphene oxide: A ReaxFF molecular dynamics simulation

APPLIED SURFACE SCIENCE

BU YS, GUO F, LI KJ, LIANG Z, ZHANG JL, JIANG CH, BI ZS

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

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

Impact of oxidants O-2, H2O, and CO2 on graphene oxidation: A critical comparison of reaction kinetics and gasification behavior

CHEMICAL ENGINEERING JOURNAL

LIANG Z, KHANNA R, LI KJ, GUO F, MA Y, ZHANG H, BU YS, BI ZS, ZHANG JL

Mechanical behavior and failure mechanism of multilayer graphene oxides with various oxygen contents and functional types: A ReaxFF molecular dynamics simulation

APPLIED SURFACE SCIENCE

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