国家/地区 Iran（8）
关键词 GRAPHENE（7） DFT（5） CO OXIDATION（2）
DOPING（2） ELEYRIDEAL ER MECHA.（2） LANGMUIRHINSHELWOOD.（2）
NITROGENDOPING（2）
出版物 APPLIED SURFACE SCI.（3）
出版时间 2019（8）
机构 UNIV MARAGHE.（6）
作者 ESRAFILI MD（8）

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