Comparative study on adsorption behaviour of the monolayer graphene, boron nitride and silicon carbide hetero-sheets towards carbon monoxide: Insights from first-principle studies
Shreyas S. Dindorkar, Anshul Yadav
Topics & Concepts
ChemistryHOMO/LUMOGrapheneDensity functional theoryBoron nitrideAdsorptionCharge densityDensity of statesMoleculeMonolayerComputational chemistryCarbon monoxideBasis setMolecular orbitalChemical physicsSilicon carbidePhysical chemistryNanotechnologyMaterials scienceOrganic chemistryCondensed matter physicsBiochemistryPhysicsQuantum mechanicsCatalysisGraphene research and applicationsBoron and Carbon Nanomaterials ResearchThermal properties of materials