国家/地区 Iran（19）
关键词 DFT（19）
出版物 APPLIED SURFACE SCI.（4）
出版时间 2019（19）
机构 ISLAMIC AZAD.（7） UNIV MARAGHE.（4） AZARBAIJAN S.（2） UNIV MAZANDA.（2）
作者 ESRAFILI MD（5） AHANGARI MG（3） MASHHADZADEH.（3） DADRASI A（2）
FATHALIAN M（2） ROUHANI M（2） SARDROODI JJ（2）

Electrochemical Reduction of N-2 to NH3 Using a Co-Atom Stabilized on Defective N-Doped Graphene: A Computational Study

CHEMISTRYSELECT

SAEIDI N, ESRAFILI MD, SARDROODI JJ

Si-coordinated nitrogen doped graphene: A robust and highly active catalyst for NO plus CO reaction

APPLIED SURFACE SCIENCE

ESRAFILI MD, VATANZADEH M

Theoretical insight into the role of pyridinic nitrogen on the catalytic activity of boron-doped graphene towards oxygen reduction reaction

APPLIED SURFACE SCIENCE

LARIJANI HT, KHORSHIDIAN M

Thermoelectric and electronic properties of B-doped graphene nanoribbon

CANADIAN JOURNAL OF PHYSICS

JAFARI A, RAMEZANI AH, FAYAZ V, HOSSIENKHANI H

Electric field assisted activation of CO2 over P-doped graphene: A DFT study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ESRAFILI MD

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

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

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

Boron and nitrogen co-doped graphene nanosheets for NO and NO2 gas sensing

PHYSICS LETTERS A

ESRAFILI MD