国家/地区 Iran（8）
关键词 CO OXIDATION（8）
出版物 APPLIED SURFACE SCI.（2） JOURNAL OF MOLECULA.（2）
出版时间 2018（2） 2019（2） 2021（2）
机构 UNIV MARAGHE.（6）
作者 ESRAFILI MD（8）

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

Exploring different reaction mechanisms for oxidation of CO over a single Pd atom incorporated nitrogen-doped graphene: A DFT study

APPLIED SURFACE SCIENCE

ESRAFILI MD, ASADOLLAHI S

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

CO Oxidation Catalyzed by a Single Ti Atom Supported on Divacancy Defective Graphene: A Dispersion-Corrected DFT Study

CHEMISTRYSELECT

ESRAFILI MD, HEYDARI S

A comparative theoretical study of CO oxidation reaction by O-2 molecule over Al- or Si-decorated graphene oxide

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ESRAFILI MD, SHARIFI F, NEMATOLLAHI P

A Comparative Study of CO Oxidation on Nitrogen- and Phosphorus-Doped Graphene

CHEMPHYSCHEM

ESRAFILI MD, MOHAMMADVALIPOUR R, MOUSAVIKHOSHDEL SM, NEMATOLLAHI 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