国家/地区 China（6）
关键词 GRAPHENE OXIDE（3） MOLECULAR DYNAMIC（3） REAXFF（3）
STRUCTURAL ARRANGEM.（3） GRAPHENE（2）
出版物 APPLIED SURFACE SCI.（3）
出版时间 2022（6）
机构
作者 LI KJ（6）

Effect of graphene wrinkle degree on the interfacial behavior between iron and graphene: Atomic simulation

JOURNAL OF MOLECULAR LIQUIDS

LIANG W, JIANG CH, LI KJ, ZHANG JL, BI ZS

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

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

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

Evolution of layer distance and structural arrangement of graphene oxide with various oxygen content and functional types in low temperature: A ReaxFF molecular dynamics simulation

APPLIED SURFACE SCIENCE

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