Energetics, electronic and magnetic properties of monolayer WSe2 doped with pnictogens, halogens and transition-metal (4d, 5d) atoms: An ab-initio study
L.B. Mabelet, B.R. Malonda-Boungou, H.B. Mabiala-Poaty, A.T. Raji, B. M’Passi-Mabiala
Topics & Concepts
DopantMonolayerDensity functional theoryDopingTransition metalAb initioHalogenAtom (system on chip)ChemistryMaterials scienceCrystallographyComputational chemistryNanotechnologyCatalysisOrganic chemistryOptoelectronicsAlkylEmbedded systemComputer science2D Materials and ApplicationsMXene and MAX Phase MaterialsChalcogenide Semiconductor Thin Films