国家/地区 China（5） Iran（2） Usa（2）
关键词 DENSITY FUNCTIONAL THEORY（9）
出版物 APPLIED SURFACE SCIENCE（9）
出版时间 2017（9）
机构 UNIV TEXAS R.（2）
作者 ADJIBI K（2） DIMAKIS N（2） FLOR FA（2） SAENZ J（2）
SALGADO A（2） VARGAS S（2）

Solvent/co-solvent effects on the electronic properties and adsorption mechanism of anticancer drug Thioguanine on Graphene oxide surface as a nanocarrier: Density functional theory investigation and a molecular dynamics

APPLIED SURFACE SCIENCE

HASANZADE Z, RAISSI H

Density functional theory calculations on transition metal atoms adsorbed on graphene monolayers

APPLIED SURFACE SCIENCE

DIMAKIS N, FLOR FA, SALGADO A, ADJIBI K, VARGAS S, SAENZ J

N2O adsorption and decomposition over ZnO(0001) doped graphene: Density functional theory calculations

APPLIED SURFACE SCIENCE

GHOLIZADEH R, YU YX, WANG YJ

Density functional theory calculations on alkali and the alkaline Ca atoms adsorbed on graphene monolayers

APPLIED SURFACE SCIENCE

DIMAKIS N, VALDEZ D, FLOR FA, SALGADO A, ADJIBI K, VARGAS S, SAENZ J

Adsorption of gas molecules on Ga-doped graphene and effect of applied electric field: A DFT study

APPLIED SURFACE SCIENCE

LIANG XY, DING N, NG SP, WU CML

Theoretical investigation of gas separation in functionalized nanoporous graphene membranes

APPLIED SURFACE SCIENCE

WANG Y, YANG QY, ZHONG CL, LI JP

DFT study on the adsorption of diethyl, ethyl methyl, and dimethyl ethers on the surface of gallium doped graphene

APPLIED SURFACE SCIENCE

RAD AS, SANI E, BINAEIAN E, PEYRAVI M, JAHANSHAHI M

Embedding germanium in graphene: A density functional theory study

APPLIED SURFACE SCIENCE

XU Z, LI YP, TAN TT, LIU ZT

Adsorption of formaldehyde molecule on the pristine and transition metal doped graphene: First-principles study

APPLIED SURFACE SCIENCE

CHEN X, XU L, LIU LL, ZHAO LS, CHEN CP, ZHANG Y, WANG XC