国家/地区 China（4）
关键词 REAXFF（4）
出版物 APPLIED SURFACE SCI.（2）
出版时间 2022（3）
机构
作者 BU YS（4）

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

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