Density functional theory based HSE06 calculations to probe the effects of defect on electronic properties of monolayer TMDCs
Ravinder Pawar, Akanksha Ashok Sangolkar
Topics & Concepts
ChalcogenDensity functional theoryChemistryMonolayerVacancy defectSemiconductorBand gapHybrid functionalTransition metalComputational chemistryChemical physicsNanotechnologyCondensed matter physicsCrystallographyMaterials scienceOptoelectronicsCatalysisBiochemistryPhysics2D Materials and ApplicationsChalcogenide Semiconductor Thin FilmsMXene and MAX Phase Materials