国家/地区 Iran（8）
关键词 DENSITY FUNCTIONAL THEORY（8）
出版物
出版时间 2022（8）
机构
作者

Attached two folded graphene nanoribbons as sensitive gas sensor

PHYSICA BCONDENSED MATTER

KHEIRABADI SJ, GHAYOUR R, SANAEE M

A DFT study of gas molecules adsorption on intrinsic and Cu-doped graphene gas nanosensors

PHYSICA SCRIPTA

TOHIDI T, SATTARIAN H, TOHIDI S

Structure and Mechanisms of Trichostatin A Drug Adsorption on Graphene Oxide: Density Functional Theory Approach

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A

GHANBARI A, BEYRAMABADI SA, KHOSHNOOD RS, ES HAGHI Z

Investigating the structure of the product of graphene oxide reaction with folic acid and chitosan: density functional theory calculations

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

HOSSEINI SM, SOLTANABADI A, ABDOUSS M, MAZINANI S

Computational modeling in enhanced CO2 and C2H2 capture on chalcogen atom (Se, Te)-decorated graphene: structural and mechanistic aspects

JOURNAL OF THE IRANIAN CHEMICAL SOCIETY

KHEIRABADI R, VAKILI M

Two-dimensional graphene-like g- and beta-XC7 (X = B, Al, N, P, and Ge) sheets: structural and electronic properties

THEORETICAL CHEMISTRY ACCOUNTS

MAJIDI R, RABCZUK T

Experimental and Theoretical Studies toward Superior Anti-corrosive Nanocomposite Coatings of Aminosilane Wrapped Layer-by-Layer Graphene Oxide@MXene/Waterborne Epoxy

ACS APPLIED MATERIALS INTERFACES

ZHOU ZY, SEIF A, POURHASHEM S, SILVESTRELLI PL, AMBROSETTI A, MIRZAEE M, DUAN JZ, RASHIDI A, HOU BR

Novel bipolar magnetic semiconductor materials formed by adsorption of methyl or halomethyles on the graphene: A spin-polarized density functional theory study

APPLIED SURFACE SCIENCE

AMINZADEH H, NASRESFAHANI S