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First-principles study of structure, electronic, and magnetic properties of C sites vacancy defects in water adsorbed graphene/MoS2 van der Waals heterostructures

Hari Krishna Neupane, Narayan Prasad Adhikari

2021Journal of Molecular Modeling24 citationsDOI

Topics & Concepts

Vacancy defectDensity functional theoryMaterials scienceElectronic structureBand gapAtom (system on chip)van der Waals forceCondensed matter physicsGrapheneHeterojunctionComputational chemistryChemistryNanotechnologyPhysicsMoleculeComputer scienceOrganic chemistryEmbedded system2D Materials and ApplicationsGraphene research and applicationsMXene and MAX Phase Materials
First-principles study of structure, electronic, and magnetic properties of C sites vacancy defects in water adsorbed graphene/MoS2 van der Waals heterostructures | Litcius