国家/地区 Iran（11）
关键词 DENSITY FUNCTIONAL THEORY（11）
出版物 APPLIED SURFACE SCIENCE（11）
出版时间 2017（2） 2018（2）
机构 ISLAMIC AZAD.（3）
作者 RAD AS（2）

Tunable electronic and magnetic properties of graphene/carbon-nitride van der Waals heterostructures

APPLIED SURFACE SCIENCE

BAFEKRY A, AKGENC B, SHAYESTEH SF, MORTAZAVI B

A dispersion-corrected DFT investigation of CH4 adsorption by silver-decorated monolayer graphene in the presence of ambient oxygen molecules

APPLIED SURFACE SCIENCE

GHANBARI R, SAFAIEE R, GOLSHAN MM

Immobilization of ultraviolet absorbers on graphene oxide nanosheets to be utilized as a multifunctional hybrid UV-blocker: A combined density functional theory and practical application

APPLIED SURFACE SCIENCE

MAHDAVIAN M, YARI H, RAMEZANZADEH B, BAHLAKEH G, HASANI M

Pt-decorated graphene as superior media for H2S adsorption: A first-principles study

APPLIED SURFACE SCIENCE

GANJI MD, SHARIFI N, ARDJMAND M, AHANGARI MG

Density functional theory prediction for oxidation and exfoliation of graphite to graphene

APPLIED SURFACE SCIENCE

RASULI R, ZAD AI

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

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

Electronic and optical properties of 2D graphene-like ZnS: DFT calculations

APPLIED SURFACE SCIENCE

LASHGARI H, BOOCHANI A, SHEKAARI A, SOLAYMANI S, SARTIPI E, MENDI RT

Adsorption of acetyl halide molecules on the surface of pristine and Al-doped graphene: Ab initio study

APPLIED SURFACE SCIENCE

RAD AS, KASHANI OR

Adsorption of gold and silver glycinate on graphene and graphene oxide surface: A DFT study

APPLIED SURFACE SCIENCE

HESHAMI M, TAVANGAR Z, TAHERI B