Litcius/Paper detail

A comparative density functional theory study of oxygen doping versus adsorption on graphene to tune its band gap

Akhtar Hussain, A. Basit

2021Journal of Molecular Graphics and Modelling10 citationsDOI

Topics & Concepts

Density functional theoryGrapheneDopingAdsorptionBand gapOxygenMaterials scienceChemical physicsComputational chemistryChemistryNanotechnologyPhysical chemistryOptoelectronicsOrganic chemistryGraphene research and applications2D Materials and ApplicationsAdvancements in Battery Materials
A comparative density functional theory study of oxygen doping versus adsorption on graphene to tune its band gap | Litcius