国家/地区 Iran（14）
关键词 DFT（14）
出版物 APPLIED SURFACE SCI.（2） SUPERLATTICES MICRO.（2）
出版时间 2016（14）
机构 ISLAMIC AZAD.（6） UNIV MARAGHE.（5）
作者 RAD AS（6） ESRAFILI MD（5） NEMATOLLAHI .（5） MOHSENI S（2）
SHABESTARI S.（2） SHARIFI F（2）

Adsorption and dissociation of H-2 on Pd doped graphene-like SiC sheet

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

JAVAN MB, SHIRDELHAVAR AH, SOLTANI A, POURARIAN F

Investigation of heavy metal atoms adsorption onto graphene and graphdiyne surface: A density functional theory study

SUPERLATTICES MICROSTRUCTURES

MASHHADZADEH AH, VAHEDI AM, ARDJMAND M, AHANGARI MG

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

APPLIED SURFACE SCIENCE

ESRAFILI MD, SHARIFI F, NEMATOLLAHI P

Surface study of platinum decorated graphene towards adsorption of NH3 and CH4

MATERIALS CHEMISTRY PHYSICS

RAD AS, PAZOKI H, MOHSENI S, ZAREYEE D, PEYRAVI M

A comparative theoretical study of CO oxidation reaction by O-2 molecule over Al- or Si-decorated graphene oxide

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ESRAFILI MD, SHARIFI F, NEMATOLLAHI P

Density functional theory study of the adsorption of MeOH and EtOH on the surface of Pt-decorated graphene

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

RAD AS

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

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

CHEMICAL PHYSICS LETTERS

ESRAFILI MD, SAEIDI N, NEMATOLLAHI P

Study on the adsorption properties of O-3, SO2, and SO3 on B-doped graphene using DFT calculations

JOURNAL OF SOLID STATE CHEMISTRY

RAD AS, SHABESTARI SS, MOHSENI S, AGHOUZI SA

Pd-embedded graphene: An efficient and highly active catalyst for oxidation of CO

SUPERLATTICES MICROSTRUCTURES

ESRAFILI MD, NEMATOLLAHI P, NURAZAR R