国家/地区 Iran（36）
关键词 DFT（36）
出版物 APPLIED SURFACE SCI.（4） JOURNAL OF MOLECULA.（4） MOLECULAR PHYSICS（3）
PHYSICA ELOWDIMENSI.（3） JOURNAL OF SULFUR C.（2） SILICON（2）
SUPERLATTICES MICRO.（2）
出版时间 2019（7） 2015（6） 2016（6） 2018（5） 2013（4） 2017（4） 2020（3）
机构 ISLAMIC AZAD UNIV（36）
作者 RAD AS（9） AHANGARI MG（5） BOOCHANI A（5） MASHHADZADEH.（4）
PEYGHAN AA（4） ELAHI SM（3） GANJI MD（3） KHOSRAVI H（3）
JAHANSHAHI M（2） KHODADADI Z（2） MOHSENI S（2） NOEI M（2）
ROUHANI M（2） SALMANKHANI .（2） SHABESTARI S.（2） SOLEYMANABAD.（2）

Removal of methylmercaptan pollution using Ni and Pt-decorated graphene: an ab-initio DFT study

JOURNAL OF SULFUR CHEMISTRY

SHAHMORADI A, AHANGARI MG, JAHANSHAHI M, MIRGHOREISHI M, FATHI E, MASHHADZADEH AH

The effect of Co on the electronic and magnetic properties of InAs graphene-like: a DFT study

APPLIED PHYSICS AMATERIALS SCIENCE PROCESSING

SOHRABI L

V impurity effect on the electronic and optical properties of Ti2C graphene-like: based on DFT

INDIAN JOURNAL OF PHYSICS

GHAEMMAGHAMI BSM, BOOCHANI A, ELAHI SM, KHOSRAVI H

Thermoelectric and electronic properties of B-doped graphene nanoribbon

CANADIAN JOURNAL OF PHYSICS

JAFARI A, RAMEZANI AH, FAYAZ V, HOSSIENKHANI H

Density Functional Theory Study on the Mechanical Properties and Interlayer Interactions of Multi-layer Graphene: Carbonic, Silicon-Carbide and Silicene Graphene-like Structures

SILICON

AHANGARI MG, SALMANKHANI A, IMANI AH, SHAHAB N, MASHHADZADEH AH

Studying metal-doped graphene nanosheet as a drug carrier for anticancer drug beta-lapachone using Density Functional Theory (DFT)

MATERIALS RESEARCH EXPRESS

KHODADADI Z, TORKIAN L

DFT study on adsorbing and detecting possibility of cyanogen chloride by pristine, B, Al, Ga, Si and Ge doped graphene

JOURNAL OF MOLECULAR STRUCTURE

ROUHANI M

Fluoro-functionalized graphene as a promising nanosensor in detection of fish spoilage: A theoretical study

CHEMICAL PHYSICS LETTERS

ROUHANI M

Co-doped triel-pnicogen graphene as metal-free catalyst for CO oxidation: Role of multi-center covalency

JOURNAL OF MOLECULAR MODELING

SADEGHI S, AMANI M

The MN effect on Electronic, optical and thermoelectric properties of Ti2N graphene: by DFT

CHINESE JOURNAL OF PHYSICS

KHODARAHMI MR, BOOCHANI A, KHOSRAVI H