Exploring the properties of quaternary X2NaTlF6 (X = Cs, Rb) halide double perovskite materials for energy conversion, harvesting, and storage using density functional theory
Gohar Ayub, Mudasser Husain, Nourreddine Sfina, Rajwali Khan, Mohammad Sohail, Hafiza Sumaira Waheed, Muawya Elhadi, Barno Sayfutdinovna Abdullaeva, Nasir Rahman
Topics & Concepts
Density functional theoryHalidePerovskite (structure)Materials scienceQuaternaryEnergy storageEnergy densityEnergy conversion efficiencyOptoelectronicsChemical engineeringEngineering physicsPhysicsInorganic chemistryChemistryThermodynamicsQuantum mechanicsGeologyPower (physics)PaleontologyEngineeringPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyHeusler alloys: electronic and magnetic properties