Computational study to investigate effectiveness of titanium substitution in CaFeH3 perovskite-type hydride: An approach towards advanced hydrogen storage system

In recent years, there has been increased interest in hydrogen storage due to the numerous advantages hydrogen offers as an energy source. This study explores the structural, hydrogen storage, electronic, elastic, mechanical, and optical properties of Ca1-xTixFeH3 through DFT. After Ti substitution...

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Autores principales:	Muhammad Rizwan, Hafiza Fiza Arooj, Faiza Noor, Kashaf Nawaz, Muhammad Abaid Ullah, Zahid Usman, Ali Akremi, Imen kebaili, Tariq Mahmood
Formato:	Artigo
Lenguaje:	Inglês
Publicado:	Elsevier 2024-07-01
Colección:	Journal of Materials Research and Technology
Materias:	Perovskite-type hydrides DFT Solid hydrogen storage Mechanical properties Optical responses
Acceso en línea:	http://www.sciencedirect.com/science/article/pii/S2238785424015813
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