国家/地区
关键词 DFT（4）
出版物 PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES（4）
出版时间 2022（4）
机构
作者

CO2 activation on transition metal decorated graphene quantum dots: An insight from first principles

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

GHOSH K, MRIDHA NK, KHAN AA, BAILDYA N, DUTTA T, BISWAS K, GHOSH NN

Theoretical treatment of interaction of pyrazinamide with graphene and h-SiC monolayer: A DFT-D3 study

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

MOGHADDAM MD, JAMEHBOZORGI S, REZVANI M, IZADKHAH V, MOGHIM MT

In silico design and analysis of Pt functionalized graphene-based FET sensor for COVID-19 biomarkers: A DFT coupled FEM study

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

SINGH P, SOHI PA, KAHRIZI M

Theoretical study of hydrogen adsorption on the graphene quantum dots doped with various first row transition metals: Switch of spin state as a way to improve H-2 adsorption

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

MALCEK M, MULLEROVA S, BUCINSKY L