An approach towards next-generation hydrogen storage: a DFT study on A<sub>2</sub>LiTiH<sub>6</sub> (A = K, Ca) perovskite hydrides
Muhammad Abaid Ullah, Muhammad Kaleem, Amna Nasir, Zahid Sarfraz, Malik Muhammad Asif Iqbal, Muhammad Rizwan, Khalid Nadeem Riaz, Muhammad Tanzeel
Abstract
(A = K, Ca) perovskite hydrides are identified as potentially viable candidates for hydrogen storage systems and energy harvesting technologies.
Topics & Concepts
Gravimetric analysisHydrogen storageHydrogenHydrideDebye modelMaterials sciencePerovskite (structure)Density functional theoryDebyeMetalThermodynamicsDesorptionHeat capacityBrittlenessPhysical chemistryEnthalpyStandard enthalpy of formationThermogravimetric analysisChemical engineeringMagnesium hydrideInorganic chemistryBinding energyChemical physicsSolid solutionIntermetallicInorganic Fluorides and Related CompoundsHybrid Renewable Energy SystemsAdvanced Chemical Physics Studies