Application of Smart Condensed H-Adsorption Nanocomposites in Batteries: Energy Storage Systems and DFT Computations
A comprehensive investigation of hydrogen grabbing towards the formation of hetero-clusters of AlGaN–H, Si–AlGaN–H, Ge–AlGaN–H, Pd–AlGaN–H, and Pt–AlGaN–H was carried out using DFT computations at the CAM–B3LYP–D3/6-311+G (d,p) level of theory. The notable fragile signal intensity close to the paral...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-11-01
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| Series: | Computation |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2079-3197/12/12/234 |
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