国家/地区 China（9） Usa（7） Iran（2）
关键词 REAXFF（24）
出版物 APPLIED SURFACE SCI.（4） ACS APPLIED MATERIA.（3） CHEMICAL ENGINEERIN.（3）
ACS NANO（2）
出版时间 2022（7） 2021（4） 2023（4） 2020（3）
机构
作者 LI KJ（6） LIANG Z（6） ZHANG JL（6） BU YS（4）
GUO F（4） ZHANG H（4） KHANNA R（3） AL MAHMUD H（2）
BARATI M（2） BI ZS（2） LI GY（2） MA SF（2）
ODEGARD GM（2） PANIAGUAGUER.（2） RADUE MS（2） RAMOSALVARAD.（2）
TERRONES M（2） VAN DUIN ACT（2）

Theoretical study of collision dynamics of fullerenes on graphenylene and porous graphene membranes

JOURNAL OF MOLECULAR GRAPHICS MODELLING

BRANDOLT R, PAUPITZ R

Tensile properties of hydrogenated hybrid graphene-hexagonal boron nitride nanosheets: a reactive force field study

MOLECULAR SIMULATION

DETHAN JFN, SWAMY V

ReaxFF Simulations of Laser-Induced Graphene (LIG) Formation for Multifunctional Polymer Nanocomposites

ACS APPLIED NANO MATERIALS

VASHISTH A, KOWALIK M, GERRINGER JC, ASHRAF C, VAN DUIN ACT, GREEN MJ

Cellulose Nanofiber-Graphene Oxide Biohybrids: Disclosing the Self-Assembly and Copper-Ion Adsorption Using Advanced Microscopy and ReaxFF Simulations

ACS NANO

ZHU CT, MONTI S, MATHEW AP

Self-Enhanced Catalytic Activities of Functionalized Graphene Sheets in the Combustion of Nitromethane: Molecular Dynamic Simulations by Molecular Reactive Force Field

ACS APPLIED MATERIALS INTERFACES

ZHANG CY, WEN YS, XUE XG

Graphene Nanocutting Through Nanopatterned Vacancy Defects

JOURNAL OF COMPUTATIONAL THEORETICAL NANOSCIENCE

JACK R, SEN D, BUEHLER MJ

The formation of Cr2O3 nanoclusters over graphene sheet and carbon nanotubes

CHEMICAL PHYSICS LETTERS

DABAGHMANESH S, NEEKAMAL M, PARTOENS B, NEYTS EC

Atomistic-Scale Simulations of Defect Formation in Graphene under Noble Gas Ion Irradiation

ACS NANO

YOON K, RAHNAMOUN A, SWETT JL, IBERI V, CULLEN DA, VLASSIOUK IV, BELIANINOV A, JESSE S, SANG XH, OVCHINNIKOVA OS, RONDINONE AJ, UNOCIC RR, VAN DUIN ACT

Mechanical and electrical properties of functionalized graphene nanoribbon: A study of reactive molecular dynamic simulation and density functional tight-binding theory

PHYSICA BCONDENSED MATTER

ZAMINPAYMA E, NAYEBI P

Thermal stability of twin graphene: A Reaxff molecular dynamics study

APPLIED SURFACE SCIENCE

LI JX, ZHANG HW, JIANG JW, CHANG TC