国家/地区 Iran（31）
关键词 DFT（31）
出版物 JOURNAL OF MOLECULA.（8） APPLIED SURFACE SCI.（7） CHEMICAL PHYSICS LE.（6）
CHEMISTRYSELECT（3）
出版时间 2018（9） 2016（5） 2019（5） 2021（4） 2015（3） 2017（3）
机构 UNIV MARAGHE.（24） AZARBAIJAN S.（2）
作者 ESRAFILI MD（31）

CuN3 doped graphene as an active electrocatalyst for oxygen reduction reaction in fuel cells: A DFT study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

MOHAMMADIRAD N, ESRAFILI MD, SARDROODI JJ

Electrochemical Reduction of N-2 to NH3 Using a Co-Atom Stabilized on Defective N-Doped Graphene: A Computational Study

CHEMISTRYSELECT

SAEIDI N, ESRAFILI MD, SARDROODI JJ

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