国家/地区 Iran（9）
关键词 DFT（6） GRAPHENE（3） ELECTROCATALYST（2）
OVERPOTENTIAL（2）
出版物 CHEMICAL PHYSICS LE.（3） NEW JOURNAL OF CHEM.（2）
出版时间 2017（3） 2016（2） 2021（2）
机构 UNIV MARAGHE.（6）
作者 SAEIDI N（9）

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

Catalytic reduction of NO by CO molecules over Ni-doped graphene: a DFT investigation

NEW JOURNAL OF CHEMISTRY

ESRAFILI MD, SAEIDI N

A DFT study on catalytic epoxidation of ethylene over Ti-doped graphene nanoflake in the presence of NO molecules

CHEMICAL PHYSICS LETTERS

ESRAFILI MD, SAEIDI N, DINPARAST L

Epoxidation of ethylene over Pt-, Pd- and Ni-doped graphene in the presence of N2O as an oxidant: a comparative DFT study

NEW JOURNAL OF CHEMISTRY

ESRAFILI MD, SAEIDI N, DINPARAST L

A DFT study on SO3 capture and activation over Si- or Al-doped graphene

CHEMICAL PHYSICS LETTERS

ESRAFILI MD, SAEIDI N, NEMATOLLAHI P

Si-doped graphene: A promising metal-free catalyst for oxidation of SO2

CHEMICAL PHYSICS LETTERS

ESRAFILI MD, SAEIDI N, NEMATOLLAHI P

Sn-embedded graphene: An active catalyst for CO oxidation to CO2?

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

ESRAFILI MD, SAEIDI N

NO electrochemical reduction over Si-N-4 embedded graphene: A DFT investigation

APPLIED SURFACE SCIENCE

SAEIDI N, ESRAFILI MD, SARDROODI JJ

A mechanistic first-principles study on N-2 reduction reaction catalyzed by Ni-4 supported defective graphene

JOURNAL OF MOLECULAR GRAPHICS MODELLING

SAEIDI N, ESRAFILI MD, SARDROODI JJ