国家/地区 China（3） Usa（2）
关键词 REAXFF（7）
出版物 ACS APPLIED MATERIA.（2） APPLIED SURFACE SCI.（2）
出版时间 2022（7）
机构
作者 BU YS（3） GUO F（3） LI KJ（3） LIANG Z（3）
ZHANG JL（3） BI ZS（2） PANIAGUAGUER.（2） RAMOSALVARAD.（2）
TERRONES M（2）

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

Effects of Moisture and Synthesis-Derived Contaminants on the Mechanical Properties of Graphene Oxide: A Molecular Dynamics Investigation

ACS APPLIED MATERIALS INTERFACES

PANIAGUAGUERRA LE, TERRONES M, RAMOSALVARADO B

Effects of Moisture and Synthesis-Derived Contaminants on the Mechanical Properties of Graphene Oxide: A Molecular Dynamics Investigation

ACS APPLIED MATERIALS INTERFACES

PANIAGUAGUERRA LE, TERRONES M, RAMOSALVARADO B

Design of Multi-Layer Graphene Membrane with Descending Pore Size for 100% Water Desalination by Simulation Using ReaxFF

MEMBRANES

IBRAHIM Q, AKBARZADEH R, GHARBIA SS, NDUNGU PG

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

Evaluating the performance of ReaxFF potentials for sp(2) carbon systems (graphene, carbon nanotubes, fullerenes) and a new ReaxFF potential

FRONTIERS IN CHEMISTRY

FTHENAKIS ZG, PETSALAKIS ID, TOZZINI V, LATHIOTAKIS NN

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