Adsorption behaviour of Si anchored on g-C3N4/graphene van der Waals heterostructure for selective sensing of toxic gases: Insights from a first-principles study
Francis Opoku, Penny P. Govender
Topics & Concepts
GrapheneAdsorptionDensity functional theoryHeterojunctionMaterials scienceDopingChemical physicsFermi levelvan der Waals forceAtomic orbitalMoleculeDesorptionFermi energyNanotechnologyComputational chemistryChemistryPhysical chemistryOptoelectronicsPhysicsOrganic chemistryElectronQuantum mechanicsGas Sensing Nanomaterials and Sensors2D Materials and ApplicationsMXene and MAX Phase Materials