国家/地区 Iran（3） Pakistan（2）
关键词 DFT（4） ADSORPTION（2） DOPING（2）
GRAPHENE（2）
出版物 JOURNAL OF MOLECULAR GRAPHICS MODELLING（7）
出版时间 2021（7）
机构
作者 ESRAFILI MD（2）

Research of weak interaction between water and different monolayer graphene systems

JOURNAL OF MOLECULAR GRAPHICS MODELLING

SUN SX, SONG JM, CUI NY, KWON MZ, CAI HX, LEE ES, JIANG HB

Catalytic CO oxidation reaction over N-substituted graphene nanoribbon with edge defects

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ESRAFILI MD, MOUSAVIAN P

Crack pathway analysis in graphene-like BC3 nanosheets: Towards a deeper understanding

JOURNAL OF MOLECULAR GRAPHICS MODELLING

DADRASI A, FOOLADPANJEH S, ESHKALAK KE, SADEGHZADEH S, SAEB MR

Grand canonical Monte Carlo simulations of methane adsorption in fullerene pillared graphene nanocomposites

JOURNAL OF MOLECULAR GRAPHICS MODELLING

BAYKASOGLU C, MERT H, DENIZ CU

A mechanistic first-principles study on N-2 reduction reaction catalyzed by Ni-4 supported defective graphene

JOURNAL OF MOLECULAR GRAPHICS MODELLING

SAEIDI N, ESRAFILI MD, SARDROODI JJ

A comparative density functional theory study of oxygen doping versus adsorption on graphene to tune its band gap

JOURNAL OF MOLECULAR GRAPHICS MODELLING

HUSSAIN A, BASIT A

Surface functionalization of twisted graphene C32H15 and C104H52 derivatives with alkalis and superalkalis for NLO response; a DFT study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

KOSAR N, AYUB K, MAHMOOD T