Nitrobenzene sensing in pristine and metal doped 2D dichalcogenide MoS2: Insights from density functional theory investigations
Antara Vaidyanathan, Seetha Lakshmy, Gopal Sanyal, Saju Joseph, Nandakumar Kalarikkal, Brahmananda Chakraborty
Topics & Concepts
NitrobenzeneDensity functional theoryDopingMaterials scienceChemical physicsMolybdenum disulfideMolecular orbitalComputational chemistryAb initioBinding energyNanomaterialsMolecular dynamicsMolybdenum trioxideTransition metalMoleculeNanotechnologyMolybdenumPhysical chemistryChemistryAtomic physicsOptoelectronicsOrganic chemistryPhysicsMetallurgyCatalysis2D Materials and ApplicationsMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques