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）

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