Structural, mechanical, and optoelectronic properties of siladiamanes – Novel hypothetical silicon analogs of diamanes: A combined DFT and DFTB study
This work describes structural, mechanical, and optoelectronic properties of the AA- and AB-stacked siladiamanes. Siladiamanes are hypothetical silicon analogues of diamanes – semiconducting quasi 2D diamonds. According to DFT calculations, the AA- and AB-stacked siladiamanes are thermodynamically,...
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| Formato: | Artigo |
| Lenguaje: | Inglês |
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Elsevier
2025-07-01
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| Colección: | Next Materials |
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| Acceso en línea: | http://www.sciencedirect.com/science/article/pii/S2949822825002497 |
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