First-principles study on structural, elasto-mechanical, electronic, thermodynamic and hydrogen storage properties of XGeH3 (X=K, Rb) hydrides
The first principles calculations are performed to calculate the structural, elastic, mechanical, phonon, electronic, optical, thermodynamic and hydrogen storage properties of lead free hydrides XGeH3(X = K,Rb). The structural parameters such as bulk modulus, volume and pressure derivative are calcu...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-01-01
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| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379724007630 |
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