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DFT investigation of thermodynamic, electronic, optical, and mechanical properties of XLiH3 (X= Mg, Ca, Sr, and Ba) hydrides for hydrogen storage and energy harvesting

Ahmad Ayyaz, Hanof Dawas Alkhaldi, Samah Saidi, Hind Albalawi, Omar Zayed, Tariq M. Al-Daraghmeh, Q. Mahmood, Afaf Khadr Alqorashi, Imen Kebaïli

2024Materials Science in Semiconductor Processing48 citationsDOI

Topics & Concepts

Hydrogen storageMaterials scienceHydrogenEnergy storageThermodynamicsPhysical chemistryMetallurgyOrganic chemistryChemistryAlloyPower (physics)PhysicsHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchSuperconductivity in MgB2 and Alloys
DFT investigation of thermodynamic, electronic, optical, and mechanical properties of XLiH3 (X= Mg, Ca, Sr, and Ba) hydrides for hydrogen storage and energy harvesting | Litcius