国家/地区 Iran（4） China（2） Iraq（2）
关键词 DFT（11）
出版物 SUPERLATTICES MICROSTRUCTURES（11）
出版时间 2016（3） 2017（2） 2019（2） 2021（2）
机构 ISLAMIC AZAD.（2）
作者 AHANGARI MG（2） MASHHADZADEH.（2）

Gas sensing of graphene and graphene oxide nanoplatelets to ClO(2 )and its decomposed species

SUPERLATTICES MICROSTRUCTURES

GUI YG, HAO ZS, LI X, TANG C, XU LN

Electronic structure and band gap engineering of bilayer graphene nanoflakes in the presence of nitrogen, boron and boron nitride impurities

SUPERLATTICES MICROSTRUCTURES

MOHAMMED MH, ALASADI AS, HANOON FH

A DFT investigation of CO adsorption on VIIIB transition metal-doped graphene sheets

SUPERLATTICES MICROSTRUCTURES

WANNO B, TABTIMSAI C

A computational investigation of B-11 and N-15 chemical shielding tensors as well as local aromaticity based on NICS characterization in the N/B doped triangular graphene quantum dots

SUPERLATTICES MICROSTRUCTURES

ANAFCHEH M, GHAFOURI R

Interlayer interaction and mechanical properties in multi-layer graphene, Boron-Nitride, Aluminum-Nitride and Gallium-Nitride graphene-like structure: A quantum-mechanical DFT study

SUPERLATTICES MICROSTRUCTURES

AHANGARI MG, FEREIDOON A, MASHHADZADEH AH

First-principles investigation of the structural and electronic properties of self-assemblies of functional molecules on graphene

SUPERLATTICES MICROSTRUCTURES

QUESNETURIN A, TOUZEAU J, DAPPE YJ, DIAWARA B, MAUREL F, SEYDOU M

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

Defect and functionalized graphene for supercapacitor electrodes

SUPERLATTICES MICROSTRUCTURES

TALUJA Y, SANTHIBHUSHAN B, YADAV S, SRIVASTAVA A

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

SUPERLATTICES MICROSTRUCTURES

ESRAFILI MD, NEMATOLLAHI P, NURAZAR R

Adsorption mechanism of SO2 on vacancy-defected graphene and Ti doped graphene: A DFT study

SUPERLATTICES MICROSTRUCTURES

ZHANG ZD, LIANG B, CHI YQ, JIANG YD, SONG J, GUO Y