国家/地区 Iran（24）
关键词 DFT（24）
出版物 APPLIED SURFACE SCI.（6） CHEMICAL PHYSICS LE.（5） JOURNAL OF MOLECULA.（4）
CHEMISTRYSELECT（2）
出版时间 2018（9） 2016（5） 2019（4） 2015（3） 2017（3）
机构 UNIV MARAGHEH（24）
作者 ESRAFILI MD（24） NEMATOLLAHI .（6） DINPARAST L（5） SAEIDI N（3）
SHARIFI F（3） MOUSAVIAN P（2） NURAZAR R（2） VESSALLY E（2）

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

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

Al or Si decorated graphene-oxide: A promising material for capture and activation of ethylene and acetylene

JOURNAL OF PHYSICS CHEMISTRY OF SOLIDS

ESRAFILI MD, DINPARAST L

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