Evaluating hydrogen storage potential of Cs2ABH6: DFT-based approach

In the current investigation, we have implemented first-principles calculations to examine the structural, elastic, electrical and optical characteristics of Cs2ABH6 (AB = AlGa, AlIn, AlTl, NaAl, NaGa, NaIn and TlIn). All of the calculations were performed out using first-principles density function...

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Bibliographic Details
Main Author: Saadi Berri
Format: Article
Language:English
Published: Pensoft Publishers 2025-04-01
Series:Modern Electronic Materials
Online Access:https://moem.pensoft.net/article/136072/download/pdf/
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