Theoretical analysis of the NH3, NO, and NO2 adsorption on boron-nitrogen and boron-phosphorous co-doped monolayer graphene - A comparative study
Aditya Tiwari, Joshna Palepu, Arani Choudhury, Sandip Bhattacharya, Sayan Kanungo
Topics & Concepts
GrapheneMaterials scienceMonolayerAdsorptionDensity functional theoryBoronChemical physicsDopingMoleculeFermi levelBand gapInorganic chemistryNanotechnologyComputational chemistryElectronPhysical chemistryChemistryOrganic chemistryPhysicsOptoelectronicsQuantum mechanicsGraphene research and applications2D Materials and ApplicationsBoron and Carbon Nanomaterials Research