Structural, electronic, mechanical and dynamical stability properties of LiAH3 (A = Sc, Ti & V) perovskite-type hydrides: A first principle study
Areeba Siddique, Adnan Khalil, Badriah S. Almutairi, Muhammad Bilal Tahir, Taswar Ahsan, Abdul Hannan, Hamid Ali, Hussein Alrobei, Meshal Alzaid
Topics & Concepts
ChemistryPerovskite (structure)Structural stabilityStability (learning theory)Electronic structureComputational chemistryCrystallographyThermodynamicsChemical physicsStructural engineeringPhysicsMachine learningComputer scienceEngineeringHydrogen Storage and MaterialsMXene and MAX Phase MaterialsInorganic Chemistry and Materials