国家/地区 China（19）
关键词 GRAPHENE（9） MOLECULAR DYNAMIC（5） MECHANICAL PROPERTI.（3）
MOLECULAR DYNAMICS .（3） ADSORPTION（2） FIRST PRINCIPLE（2）
出版物 COMPUTATIONAL MATERIALS SCIENCE（19）
出版时间 2017（19）
机构 SHANGHAI JIA.（3） NORTHWESTERN.（2） SOUTH CHINA .（2）
作者 LI Y（2） LI YF（2） WEI AR（2）

CO2/N-2 separation via multilayer nanoslit graphene oxide membranes: Molecular dynamics simulation study

COMPUTATIONAL MATERIALS SCIENCE

WANG P, LI W, DU CC, ZHENG X, SUN XL, YAN YG, ZHANG J

Effects of morphology, tension and vibration on wettability of graphene: A molecular dynamics study

COMPUTATIONAL MATERIALS SCIENCE

HUANG CP, XU F, SUN Y

Excitonic effects on the optical response of monolayer and bilayer graphene-like silicon carbide

COMPUTATIONAL MATERIALS SCIENCE

LAN YZ

Thermal characteristics of graphene nanosheet with graphane domains of varying morphologies

COMPUTATIONAL MATERIALS SCIENCE

WEI AR, LI YF, LI Y, YE H

The magnetoresistance effect and spin-polarized photocurrent of zigzag graphene-graphyne nanoribbon heterojunctions

COMPUTATIONAL MATERIALS SCIENCE

LI Y, MA ZY, SONG XJ, YANG Z, XU LC, LIU RP, LI XY, LIU XG, HU DY

Synergistic effect of nitrogen and sulfur co-doped graphene as efficient metal-free counter electrode for dye-sensitized solar cells: A first principle study

COMPUTATIONAL MATERIALS SCIENCE

LIU Y, WANG YX, ZHENG XN, WANG Y

Using graphene to simplify the adsorption of methane on shale in MD simulations

COMPUTATIONAL MATERIALS SCIENCE

LIN K, YUAN QZ, ZHAO YP

Structural stability and deformation resistant analysis of borophene and graphene-filled calcium silicate for cement-based materials

COMPUTATIONAL MATERIALS SCIENCE

YUAN JH, ZHANG LW, LIEW KM

First principles studies on electronic and transport properties of edge contact graphene-MoS2 heterostructure

COMPUTATIONAL MATERIALS SCIENCE

SUN J, LIN N, TANG C, WANG HY, REN H, ZHAO X

Tensile mechanical properties study of SiC/graphene composites based on molecular dynamics

COMPUTATIONAL MATERIALS SCIENCE

ZHAN JM, YAO XH, LI WH, ZHANG XQ