国家/地区 Iran（16）
关键词 DFT（11） GRAPHENE（11） ADSORPTION（8）
MECHANICAL PROPERTI.（4） HEAVY METAL ATOM（3） YOUNG S MODULU（3）
AB INITIO CALCULATI.（2） DEFECT（2） DOS（2）
ELECTRONIC PROPERTI.（2） MULTISCALE（2） PLATINUM（2）
出版物 MATERIALS CHEMISTRY.（4） APPLIED SURFACE SCI.（2） SUPERLATTICES MICRO.（2）
出版时间 2017（3） 2019（3） 2014（2） 2018（2） 2020（2）
机构 UNIV MAZANDA.（7） ISLAMIC AZAD.（6） SEMNAN UNIV（2）
作者 AHANGARI MG（16）

Experimental and multiscale quantum mechanics modeling of the mechanical properties of PVC/graphene nanocomposite

JOURNAL OF COMPOSITE MATERIALS

MASHHADZADEH AH, FEREIDOON A, AHANGARI MG

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

Effect of various defects on mechanical and electronic properties of zinc oxide graphene-like structure: A DFT study

VACUUM

AHANGARI MG, MASHHADZADEH AH, FATHALIAN M, DADRASI A, ROSTAMIYAN Y, MALLAHI A

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

Theoretical studies on the mechanical and electronic properties of 2D and 3D structures of Beryllium-Oxide graphene and graphene nanobud

APPLIED SURFACE SCIENCE

MASHHADZADEH AH, AHANGARI MG, DADRASI A, FATHALIAN M

DFT study of Ni, Cu, Cd and Ag heavy metal atom adsorption onto the surface of the zinc-oxide nanotube and zinc-oxide graphene-like structure

MATERIALS CHEMISTRY PHYSICS

MASHHADZADEH AH, FATHALIAN M, AHANGARI MG, SHAHAVI MH

Density functional theory study of adsorption properties of non-carbon, carbon and functionalized graphene surfaces towards the zinc and lead atoms

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

MASHHADZADEH AH, AHANGARI MG, SALMANKHANI A, FATALIYAN M

Carborane-wheeled nanocar moving on graphene/graphyne surfaces: van der Waals corrected density functional theory study

MATERIALS CHEMISTRY PHYSICS

GANJI MD, AHANGARI MG, EMAMI SM

First-principles vdW-DF study on the enhanced hydrogen storage capacity of Pt-adsorbed graphene

JOURNAL OF MOLECULAR MODELING

KHOSRAVI A, FEREIDOON A, AHANGARI MG, GANJI MD, EMAMI SN

Si-decorated graphene: a superior media for lithium-ions storage

STRUCTURAL CHEMISTRY

SHARIFI N, ARDJMAND M, AHANGARI MG, GANJI MD