国家/地区 Iran（5）
关键词 DFT（5）
出版物
出版时间 2023（5）
机构
作者

Tuning structural and electronic properties of beta 12-Borophene/Graphene heterostructure

MODERN PHYSICS LETTERS B

FARAMARZI S, MOVLAROOY T

He adsorption and sensing properties of graphene nanoflakes doped with Mo and Nb

PHYSICA SCRIPTA

MONADI MM, ROUHANI M, ALIABAD JM

First-principles study of nitrogen-doped porous graphene for Na+, K+, Mg2+, and Ca2+ cations adsorption

STRUCTURAL CHEMISTRY

ZERAATIMOGHANI M

Theoretical investigations of functionalization of graphene and ZnO monolayers with mercaptopurine at aqueous media: A dispersion-corrected DFT calculations and molecular dynamic simulations

JOURNAL OF MOLECULAR LIQUIDS

AGHAHOSSEINI A, EDJLALI L, JAMEHBOZORGI S, REZVANI M, GHASEMI E

Decomposition of formic acid via carboxyl mechanism on the graphene nanosheet decorated by Cr, Mn, Fe, Co, Ni, Pd, Ag, and Cd metals: A DFT study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

GHARIB A, ARAB A