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Physical properties of the XScH3 (X: Ca, and Mg) perovskite hydrides and their hydrogen storage applications

We conducted a comprehensive investigation into the structural, mechanical, electronic, magnetic, thermodynamic, optical, and hydrogen storage properties of the novel XScH3 (X: Ca and Mg) perovskite hydrides by using density functional theory (DFT). Our calculations of the cohesive energy and elast...

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Bibliographic Details
Main Authors: Masood, M. Kashif, Khan, Wahidullah, Bibi, Shumaila, Kanwal, Anza, Bibi, Shazia, Noor, Gulab, A. Alothman, Asma, Rehman, Javed, Shafiee, Saiful 'Arifin
Format: Article
Language:English
Published: Elsevier Ltd. 2024
Subjects:
QD Chemistry
Online Access:http://irep.iium.edu.my/112249/3/112249_Physical%20properties%20of%20the%20XScH3.pdf
http://irep.iium.edu.my/112249/
https://www.sciencedirect.com/science/article/abs/pii/S0022369724002336?via%3Dihub
https://doi.org/10.1016/j.jpcs.2024.112098
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Internet

http://irep.iium.edu.my/112249/3/112249_Physical%20properties%20of%20the%20XScH3.pdf
http://irep.iium.edu.my/112249/
https://www.sciencedirect.com/science/article/abs/pii/S0022369724002336?via%3Dihub
https://doi.org/10.1016/j.jpcs.2024.112098

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