国家/地区 Iran（41）
关键词 DFT（31） GRAPHENE（20） CO OXIDATION（8）
ADSORPTION（7） MECHANISM（6） CATALYSI（4）
CATALYST（4） DOPING（4） GRAPHENE OXIDE（4）
N2O REDUCTION（4） ELEYRIDEAL MECHANIS.（3） ER MECHANISM（3）
LH MECHANISM（3） CO OXIDATION REACTI.（2） CO2 REDUCTION（2）
出版物 APPLIED SURFACE SCI.（8） JOURNAL OF MOLECULA.（8） CHEMICAL PHYSICS LE.（7）
CHEMISTRYSELECT（3） NEW JOURNAL OF CHEM.（3） ECOTOXICOLOGY ENVIR.（2）
INTERNATIONAL JOURN.（2）
出版时间 2018（10） 2019（8） 2016（7） 2021（6） 2017（5） 2015（3）
机构 UNIV MARAGHE.（30） AZARBAIJAN S.（2）
作者 ESRAFILI MD（41）

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

Efficient DBT removal from diesel oil by CVD synthesized N-doped graphene as a nanoadsorbent: Equilibrium, kinetic and DFT study

ECOTOXICOLOGY ENVIRONMENTAL SAFETY

MESHKAT SS, RASHIDI A, DASTGERDI ZH, 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

Adsorptive mercaptan removal of liquid phase using nanoporous graphene: Equilibrium, kinetic study and DFT calculations

ECOTOXICOLOGY ENVIRONMENTAL SAFETY

MESHKAT SS, TAVAKOLI O, RASHIDI A, ESRAFILI MD