Harnessing solar energy with lead-free Tl2BPI6 (B = Cs, Rb) double perovskites for photocatalytic water splitting
Asif Nawaz Khan, Selma Rabhi, Naimat Ullah Khan, Sajid Ali Ansari, Shima Sadaf, Mir Waqas Alam
Topics & Concepts
Materials scienceWater splittingDensity functional theoryBand gapAb initioHydrogenPhotocatalysisElectronic band structureVisible spectrumChemical physicsPhotocatalytic water splittingOptoelectronicsSemimetalValence (chemistry)Solar energyHydrogen productionDirect and indirect band gapsLocal-density approximationAb initio quantum chemistry methodsElectronic structureMolecular physicsQuantum efficiencyUltravioletThermalEnergy conversion efficiencySolar cellWIEN2kPerovskite Materials and ApplicationsInorganic Chemistry and MaterialsCrystal Structures and Properties