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A DFT investigation of Li-based hydride perovskites LiXH3 (X = S, Se) for hydrogen storage applications

Arshid Mahmood Ali, Babar Azeem, Seher Akbar, Ayesha Saddiqa, Mahboob Ahmad, Sara Rehman, Mohammod Hafizur Rahman, Aishah Binti Mahpudz

2025International Journal of Hydrogen Energy18 citationsDOI

Topics & Concepts

Hydrogen storageHydrideHydrogenMaterials scienceLithium hydrideChemistryCrystallographyIonOrganic chemistryIonic bondingHydrogen Storage and MaterialsAdvanced Battery Materials and TechnologiesThermal Expansion and Ionic Conductivity
A DFT investigation of Li-based hydride perovskites LiXH3 (X = S, Se) for hydrogen storage applications | Litcius