First-principles calculations to investigate the effect of Cs-doping in BaTiO3 for water-splitting application
Muhammad Usman, Jalil Ur Rehman, Muhammad Bilal Tahir, Abid Hussain
Topics & Concepts
PseudopotentialDopingBand gapAbsorption edgeMaterials scienceDensity functional theoryValence (chemistry)Hybrid functionalElectronic structureAbsorption (acoustics)Electronic band structureCondensed matter physicsAnalytical Chemistry (journal)ChemistryOptoelectronicsComputational chemistryPhysicsComposite materialOrganic chemistryChromatographyMultiferroics and related materialsElectronic and Structural Properties of OxidesGa2O3 and related materials