Exploring the physical properties of the perovskite-type hydrides NaXH3 (X = Ni, Cu, Zn) for hydrogen storage applications: A DFT study
Ahsan Farid, Jawaria Fatima, Eman Aldosari, Iqra Shahid, Asmat Ullah
Topics & Concepts
ChemistryHydrogen storagePerovskite (structure)HydrogenInorganic chemistryDensity functional theoryCrystallographyComputational chemistryOrganic chemistryHydrogen Storage and MaterialsThermal Expansion and Ionic ConductivityAdvanced Battery Materials and Technologies