国家/地区 Iran（7）
关键词 DFT（5） CO OXIDATION（4） GRAPHENE（4）
ADSORPTION（2） CATALYST（2） MECHANISM（2）
出版物 APPLIED SURFACE SCI.（2） JOURNAL OF MOLECULA.（2）
出版时间 2021（3） 2018（2）
机构 UNIV MARAGHE.（3）
作者 MOUSAVIAN P（7）

A DFT study on the possibility of using a single Cu atom incorporated nitrogen-doped graphene as a promising and highly active catalyst for oxidation of CO

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

ESRAFILI MD, MOUSAVIAN P

Boosting graphene reactivity with co-doping of boron and nitrogen atoms: CO oxidation by O-2 molecule

APPLIED SURFACE SCIENCE

ESRAFILI MD, MOUSAVIAN P

Probing reaction pathways for oxidation of CO by O-2 molecule over P-doped divacancy graphene: A DFT study

APPLIED SURFACE SCIENCE

ESRAFILI MD, MOUSAVIAN P

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

Oxidation of methane and ethylene over Al incorporated N-doped graphene: A comparative mechanistic DFT study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

MOUSAVIAN P, ESRAFILI MD, SARDROODI JJ

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