Structures and hydrogen storage properties of AeVH3 (Ae = Be, Mg, Ca, Sr) perovskite hydrides by DFT calculations
Areeba Siddique, Adnan Khalil, Badriah S. Almutairi, Muhammad Bilal Tahir, Muhammad Sagir, Zaka Ullah, Abdul Hannan, Hamid Ali, Hussein Alrobei, Meshal Alzaid
Topics & Concepts
CASTEPHydrogen storageGravimetric analysisPerovskite (structure)Density functional theoryHydrogenIonic bondingMaterials scienceLattice energyBand gapLattice constantCrystal structureChemistryThermodynamicsComputational chemistryCrystallographyIonOptoelectronicsOrganic chemistryOpticsPhysicsDiffractionHydrogen Storage and MaterialsThermal Expansion and Ionic ConductivityAdvanced Battery Materials and Technologies