First principles study of the effect of (Mg, C) doping and Zn vacancies on the carrier activity, lifetime, visible light effect, and oxidation–reduction reaction of ZnO(0 0 1) monolayers
Mude Qi, Qingyu Hou, Yong Li
Topics & Concepts
MonolayerPseudopotentialDopingMaterials scienceDensity functional theoryPhotocatalysisBand gapImpurityVacancy defectAbsorption (acoustics)Absorption spectroscopyAbsorption edgeNanotechnologyChemistryComputational chemistryCondensed matter physicsCrystallographyOptoelectronicsCatalysisOpticsOrganic chemistryPhysicsComposite materialZnO doping and propertiesGa2O3 and related materialsAdvanced Photocatalysis Techniques