Electronic, thermodynamic, optical and photocatalytic properties of GaAgO2 and AlAgO2 compounds scrutinized via a systemic hybrid DFT
Md. Rajib Munshi, Sapan Kumar Sen, Md. Zuel Rana
Topics & Concepts
CASTEPMaterials sciencePhotocatalysisBand gapDensity functional theorySemiconductorChemical physicsPhotocatalytic water splittingCrystal (programming language)Water splittingVisible spectrumPhotochemistryElectronic structureOptoelectronicsChemistryComputational chemistryCatalysisOrganic chemistryComputer scienceProgramming languageZnO doping and propertiesGa2O3 and related materialsAdvanced Photocatalysis Techniques