Exploring the multifunctional properties of Sr2BiXO6 (X = La, Y) double perovskites via DFT: A path toward photocatalytic applications
Adil Moutaouaffiq, Abdelghafour El Mekkaouy, Hamza Benaali, El Houcine Akarchaou, Najat El Gaidi, Abdullah K. Alanazi, Abdellah Tahiri, Rodouan Touti
Topics & Concepts
CASTEPMaterials sciencePhotocatalysisBand gapDensity functional theorySemiconductorUltraviolet lightBulk modulusPerovskite (structure)UltravioletShear modulusElectronic band structureElastic modulusOptoelectronicsElectronic structureDirect and indirect band gapsAnisotropyModulusStructural stabilityPhotocatalytic water splittingWide-bandgap semiconductorProperties of waterWater splittingNanotechnologyPhotoexcitationChemical physicsComposite materialVisible spectrumLocal-density approximationMagnetic and transport properties of perovskites and related materialsPerovskite Materials and ApplicationsAdvanced Condensed Matter Physics