Catechol detection in pure and transition metal decorated 2D MoS2: Acumens from density functional theory approaches
Seetha Lakshmy, Gopal Sanyal, Antara Vaidyanathan, Saju Joseph, Nandakumar Kalarikkal, Brahmananda Chakraborty
Topics & Concepts
CatecholDensity functional theoryMetalMaterials scienceComputational chemistryTransition metalMolecular orbitalAb initioChemical physicsNanomaterialsBinding energyChemistryPhysical chemistryMoleculeNanotechnologyAtomic physicsOrganic chemistryPhysicsMetallurgyCatalysis2D Materials and ApplicationsGraphene research and applicationsMXene and MAX Phase Materials