Computational insights of double perovskite Na2CaCdH6 hydride alloy for hydrogen storage applications: a DFT investigation

Computational insights of double perovskite Na2CaCdH6 hydride alloy for hydrogen storage applications: a DFT investigation

Abstract Prospective use of perovskite hydride materials in H storage a crucial element of clean energy systems has drawn a lot of attention. The structural, electrical, mechanical, thermodynamic, and H storage qualities of Na2CaCdH6 hydride alloys were examined in this work using DFT. According to...

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Bibliographic Details
Main Authors: Muhammad Khuram Shahzad, Shoukat Hussain, Muhammad Noman Khan, Muhammad Jehanzaib Aslam, Rawaa M. Mohammed, Vineet Tirth, Hassan Alqahtani, Ali Algahtani, Tawfiq Al-Mughanam, Waqar Azeem
Format: Article
Language:English
Published: Nature Portfolio 2024-10-01
Series:Scientific Reports
Subjects:
DFT
Hydride perovskite
Mechanical properties
Gravimetric H storage capacity
Online Access:https://doi.org/10.1038/s41598-024-76062-0

Internet

https://doi.org/10.1038/s41598-024-76062-0

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