国家/地区 Iran（3） China（2）
关键词 ADSORPTION（3） GRAPHENE（3） AB INITIO CALCULATI.（2）
DENSITY FUNCTIONAL .（2）
出版物 JOURNAL OF MOLECULAR MODELING（7）
出版时间 2014（7）
机构 ISLAMIC AZAD.（2）
作者

Metal-doped graphene layers composed with boron nitride-graphene as an insulator: a nano-capacitor

JOURNAL OF MOLECULAR MODELING

MONAJJEMI M

Computational study of graphene growth on copper by first-principles and kinetic Monte Carlo calculations

JOURNAL OF MOLECULAR MODELING

TAIOLI S

First-principles vdW-DF study on the enhanced hydrogen storage capacity of Pt-adsorbed graphene

JOURNAL OF MOLECULAR MODELING

KHOSRAVI A, FEREIDOON A, AHANGARI MG, GANJI MD, EMAMI SN

Adsorption of 2,3,7,8-tetrochlorodibenzo-p-dioxins on intrinsic, defected, and Ti (N, Ag) doped graphene: a DFT study

JOURNAL OF MOLECULAR MODELING

ZHANG HP, HE WD, LUO XG, LIN XY, LU X

Adsorption of HCN on reduced graphene oxides: a first-principles study

JOURNAL OF MOLECULAR MODELING

ZHAO ML, YANG F, XUE Y, XIAO D, GUO Y

First principles calculations of phenol adsorption on pristine and group III (B, Al, Ga) doped graphene layers

JOURNAL OF MOLECULAR MODELING

AVILA Y, COCOLETZI GH, ROMERO MT

DFT study of ozone dissociation on BC3 graphene with Stone-Wales defects

JOURNAL OF MOLECULAR MODELING

PEYGHAN AA, MORADI M