国家/地区 Iran（30）
关键词 DFT（24） GRAPHENE（14） ADSORPTION（6）
CO OXIDATION（6） MECHANISM（5） CATALYSI（4）
GRAPHENE OXIDE（4） N2O REDUCTION（4） DOPING（3）
ER MECHANISM（3） LH MECHANISM（3） CATALYST（2）
CO OXIDATION REACTI.（2） CO2 REDUCTION（2） DECORATION（2）
出版物 APPLIED SURFACE SCI.（7） CHEMICAL PHYSICS LE.（6） JOURNAL OF MOLECULA.（4）
CHEMISTRYSELECT（2） INTERNATIONAL JOURN.（2） NEW JOURNAL OF CHEM.（2）
出版时间 2018（9） 2016（7） 2019（6） 2017（5） 2015（3）
机构 UNIV MARAGHEH（30）
作者 ESRAFILI MD（30）

Si-coordinated nitrogen doped graphene: A robust and highly active catalyst for NO plus CO reaction

APPLIED SURFACE SCIENCE

ESRAFILI MD, VATANZADEH M

Electric field assisted activation of CO2 over P-doped graphene: A DFT study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ESRAFILI MD

Boron and nitrogen co-doped graphene nanosheets for NO and NO2 gas sensing

PHYSICS LETTERS A

ESRAFILI MD

Theoretical insights into hydrogenation of CO2 to formic acid over a single Co atom incorporated nitrogen-doped graphene: A DFT study

APPLIED SURFACE SCIENCE

ESRAFILI MD, NEJADEBRAHIMI B

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

Exploring Reaction Mechanisms for the Reduction of NO Molecules over Al- or Si-Anchored Graphene Oxide: A Metal-Free Approach

CHEMISTRYSELECT

ESRAFILI MD

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

APPLIED SURFACE SCIENCE

ESRAFILI MD, MOUSAVIAN P

N2O + CO reaction over a single Si or P atom incorporated nitrogen-doped graphene: A comparative DFT study

CHEMICAL PHYSICS LETTERS

ESRAFILI MD

BN co-doped graphene monolayers as promising metal-free catalysts for N2O reduction: A DFT study

CHEMICAL PHYSICS LETTERS

ESRAFILI MD