Effect of Cu concentration and dopant site on the band gap of MoS2: A DFT study
Akhtar Hussain, Muhammad Tayyab
Topics & Concepts
ImpurityDopantDopingBand gapDensity functional theoryMaterials scienceAtom (system on chip)Electronic structureMolybdenum disulfideHybrid functionalMolybdenumElectronic band structureCondensed matter physicsChemical physicsComputational chemistryChemistryOptoelectronicsPhysicsMetallurgyOrganic chemistryEmbedded systemComputer science2D Materials and ApplicationsChalcogenide Semiconductor Thin FilmsMXene and MAX Phase Materials