Effect of strain in beta phosphorus nitride nanosheets on the adsorption of polycyclic aromatic hydrocarbons: a DFT study
V. Nagarajan, R. Bhuvaneswari, R. Chandiramouli
Topics & Concepts
AdsorptionNanosheetPhysisorptionBand gapMaterials scienceMonolayerCompressive strengthPopulationChemical engineeringStrain (injury)Electronic structureDensity functional theoryGraphitic carbon nitrideInorganic chemistryMulliken population analysisChemistryChemical stabilityComputational chemistryPhysical chemistryBinding energyStructural stabilityNitrideChemical physicsEnergetic Materials and CombustionBoron and Carbon Nanomaterials ResearchDendrimers and Hyperbranched Polymers