Exploring Zr-based perovskite hydrides XZrH3 (X: Na/Cs) for hydrogen storage applications: Insights from first-principles DFT calculations
A. Hammad, Tesfaye Abebe Geleta, M. Tanseer Ali, Nabil Bouri
Topics & Concepts
Hydrogen storagePerovskite (structure)Materials scienceDensity functional theoryHydrogenPhysical chemistryThermodynamicsCrystallographyChemistryComputational chemistryPhysicsMetallurgyAlloyOrganic chemistryHydrogen Storage and MaterialsHybrid Renewable Energy SystemsAdvanced Battery Materials and Technologies