国家/地区 Iran（9）
关键词 DFT（9）
出版物 APPLIED SURFACE SCI.（2） CHEMICAL PHYSICS LE.（2） CHEMISTRYSELECT（2）
出版时间 2018（9）
机构 UNIV MARAGHEH（9）
作者 ESRAFILI MD（9） DINPARAST L（2） MOUSAVIAN P（2）

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

Al or Si decorated graphene-oxide: A promising material for capture and activation of ethylene and acetylene

JOURNAL OF PHYSICS CHEMISTRY OF SOLIDS

ESRAFILI MD, DINPARAST L

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

CO Oxidation Catalyzed by a Single Ti Atom Supported on Divacancy Defective Graphene: A Dispersion-Corrected DFT Study

CHEMISTRYSELECT

ESRAFILI MD, HEYDARI S

The selective adsorption of formaldehyde and methanol over Al- or Si-decorated graphene oxide: A DFT study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ESRAFILI MD, DINPARAST L

N2O + CO reaction over single Ga or Ge atom embedded graphene: A DFT study

SURFACE SCIENCE

ESRAFILI MD, VESSALLY E