国家/地区 Iran（7）
关键词 DFT（6） GRAPHENE（5） ADSORPTION（2）
CO OXIDATION（2） MECHANISM（2）
出版物 APPLIED SURFACE SCIENCE（7）
出版时间 2019（3） 2016（2） 2018（2）
机构 UNIV MARAGHEH（7）
作者 ESRAFILI MD（7） MOUSAVIAN P（2） NEMATOLLAHI .（2）

Si-coordinated nitrogen doped graphene: A robust and highly active catalyst for NO plus CO reaction

APPLIED SURFACE SCIENCE

ESRAFILI MD, VATANZADEH M

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 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

Boosting graphene reactivity with co-doping of boron and nitrogen atoms: CO oxidation by O-2 molecule

APPLIED SURFACE SCIENCE

ESRAFILI MD, MOUSAVIAN P

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

Al- or Si-decorated graphene oxide: A favorable metal-free catalyst for the N2O reduction

APPLIED SURFACE SCIENCE

ESRAFILI MD, SHARIFI F, NEMATOLLAHI P

comparative DFT study on the CO oxidation reaction over Al- and Ge-embedded graphene as efficient metal-free catalysts

APPLIED SURFACE SCIENCE

ESRAFILI MD, NEMATOLLAHI P, ABDOLLAHPOUR H