国家/地区 Iran（6）
关键词 DFT（4） GRAPHENE（3） CO OXIDATION（2）
ELECTROCATALYST（2）
出版物 JOURNAL OF MOLECULA.（2）
出版时间 2021（6）
机构
作者 ESRAFILI MD（6）

NO electrochemical reduction over Si-N-4 embedded graphene: A DFT investigation

APPLIED SURFACE SCIENCE

SAEIDI N, ESRAFILI MD, SARDROODI JJ

Catalytic role of B atoms in CO oxidation on B-doped graphene

CHEMICAL PHYSICS LETTERS

ESRAFILI MD, MOUSAVIAN P

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

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ESRAFILI MD, MOUSAVIAN P

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

Defect engineering-induced porosity in graphene quantum dots embedded metal-organic frameworks for enhanced benzene and toluene adsorption

JOURNAL OF HAZARDOUS MATERIALS

ALIVAND MS, TEHRANI NHMH, ASKARIEH M, GHASEMY E, ESRAFILI MD, AHMADI R, ANISI H, TAVAKOLI O, RASHIDI A

Catalytic role of graphitic nitrogen atoms in the CO oxidation reaction over N-containing graphene: a first-principles mechanistic evaluation

NEW JOURNAL OF CHEMISTRY

ESRAFILI MD, MOUSAVIAN P