国家/地区 Iran（11）
关键词 DFT（11）
出版物 APPLIED SURFACE SCI.（2） JOURNAL OF MOLECULA.（2）
出版时间 2021（11）
机构
作者 ESRAFILI MD（4） MOUSAVIAN P（2） SAEIDI N（2） SARDROODI JJ（2）

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

APPLIED SURFACE SCIENCE

SAEIDI N, ESRAFILI MD, SARDROODI JJ

Catalytic role of B atoms in CO oxidation on B-doped graphene

CHEMICAL PHYSICS LETTERS

ESRAFILI MD, MOUSAVIAN P

Catalytic CO oxidation reaction over N-substituted graphene nanoribbon with edge defects

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ESRAFILI MD, MOUSAVIAN P

Computational evaluation of B(OH)-doped graphene efficiency for detecting of Methyl isocyanate (MIC)

INORGANIC CHEMISTRY COMMUNICATIONS

ROUHANI M

Electronic, optical, magneto-optical, and thermoelectric properties of the SrS graphene-like under Cr impurity

CHEMICAL PHYSICS

YARI A, BOOCHANI A, REZAEE S

Electrochemical and theoretical investigation of functionalized reduced graphene aerogel modified electrode for lead ions sensing

MICROCHEMICAL JOURNAL

EHSANI A, REZAEI Z, AGAH A, SHIRI HM, HEIDARI AA

DFT study of Ni-doped graphene nanosheet as a drug carrier for multiple sclerosis drugs

COMPUTATIONAL THEORETICAL CHEMISTRY

DASTANI N, ARAB A, RAISSI H

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

Theoretical investigation of phenol adsorption on functionalized graphene using DFT calculations for effective removal of organic contaminants from wastewater

JOURNAL OF MOLECULAR LIQUIDS

GHAHGHAEY Z, HEKMATI M, GANJI MD

Study of the Ribavirin drug adsorption on the surfaces of carbon nanotube and graphene nanosheet using density functional theory calculations

BULLETIN OF THE KOREAN CHEMICAL SOCIETY

SHEIKHI M, SHAHAB S, BALALI E, ALNAJJAR R, KAVIANI S, KHANCHEUSKI M, AL SAUD S