Band gap Engineering of ZnO via transition metal Doping: An ab initio study
M. A. Moiz, Abdullah Mumtaz, Muhammad Salman, Syed Wilayat Husain, Abrar H. Baluch, Muhammad Ramzan
Topics & Concepts
DopingAb initioBand gapMaterials scienceDensity functional theoryTransition metalPhotocatalysisElectronic structureAb initio quantum chemistry methodsValence (chemistry)Visible spectrumMetalDensity of statesComputational chemistryCondensed matter physicsOptoelectronicsChemistryMoleculeCatalysisMetallurgyPhysicsBiochemistryOrganic chemistryZnO doping and propertiesCopper-based nanomaterials and applicationsGa2O3 and related materials