国家/地区 Japan（10）
关键词 GRAPHENE（4） CURVATURE（2） GRAPHENE NANORIBBON（2）
MOLECULAR DYNAMICS .（2）
出版物 COMPUTATIONAL MATERIALS SCIENCE（10）
出版时间 2011（2） 2014（2） 2022（2）
机构 UNIV FUKUI（2）
作者 LEI XW（3） HASHIMOTO A（2） ISLAM MS（2） LI MY（2）
SHI JX（2） TANAKA S（2） USHIDA K（2）

Effect of boron and nitrogen doping with native point defects on the vibrational properties of graphene

COMPUTATIONAL MATERIALS SCIENCE

ISLAM MS, USHIDA K, TANAKA S, MAKINO T, HASHIMOTO A

DFT calculations for SO4/graphene with and without a Pd atom

COMPUTATIONAL MATERIALS SCIENCE

YOKOYAMA M, NAKADA K, ISHII A

Numerical analysis on vacancy induced vibrational properties of graphene nanoribbons

COMPUTATIONAL MATERIALS SCIENCE

ISLAM MS, USHIDA K, TANAKA S, HASHIMOTO A

Calcium-decorated graphene for hydrogen storage: A van der Waals density functional study

COMPUTATIONAL MATERIALS SCIENCE

WANG V, MIZUSEKI H, HE HP, CHEN G, ZHANG SL, KAWAZOE Y

Nonlocal elasticity theory for the buckling of double-layer graphene nanoribbons based on a continuum model

COMPUTATIONAL MATERIALS SCIENCE

SHI JX, NI QQ, LEI XW, NATSUKI T

Evaporation processes of water molecules from graphene edge: DFT and MD study

COMPUTATIONAL MATERIALS SCIENCE

ABE S, NAGOYA Y, WATARI F, TACHIKAWA H

First principles study of the physisorption of hydrogen molecule on graphene and carbon nanotube surfaces adhered by Pt atom

COMPUTATIONAL MATERIALS SCIENCE

LAM PT, DUNG PV, SUGIYAMA A, DUC ND, SHIMODA T, FUJIWARA A, CHI DH

Deformation mechanism of ripplocation in multilayer graphene

COMPUTATIONAL MATERIALS SCIENCE

LI MY, XU PF, SHI JX, LEI XW

Molecular dynamics studies on mechanical properties and deformation mechanism of graphene/aluminum composites

COMPUTATIONAL MATERIALS SCIENCE

LI MY, LEI XW

Annihilation dynamics of a dislocation pair in graphene: Density-functional tight-binding molecular dynamics simulations and first principles study

COMPUTATIONAL MATERIALS SCIENCE

KAWAMURA Y, OHTA Y