First-principles investigation of the structural, dynamic, mechanical, and optoelectronic features of novel K3SeBr anti-perovskite for photovoltaic and photocatalytic water splitting (solar-to-hydrogen production)
Md. Earshad Ali, Karim Kriaa, Nobiul Islam, Md. Shizer Rahman, Noureddine Elboughdiri, Md. Azizur Rahman, Mohamed Benghanem
Topics & Concepts
Materials sciencePhotocatalysisOptoelectronicsWater splittingDensity functional theoryBand gapEnergy conversion efficiencyVisible spectrumPhotocatalytic water splittingValence (chemistry)Absorption (acoustics)Photovoltaic systemAbsorption edgeDielectricHydrogenSolar cellWide-bandgap semiconductorPhotochemistryOxygen evolutionDirect and indirect band gapsLight intensityConduction bandElectronic band structureSolar energyElectronic structureAbsorption spectroscopyPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesAdvanced Photocatalysis Techniques