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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| Format: | Article |
| Language: | English |
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Pensoft Publishers
2025-04-01
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| Series: | Modern Electronic Materials |
| Online Access: | https://moem.pensoft.net/article/136072/download/pdf/ |
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