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DFT Insights into MAX Phase Borides Hf(2)AB [A = S, Se, Te] in Comparison with MAX Phase Carbides Hf(2)AC [A = S, Se, Te]
[Image: see text] In this work, density functional theory (DFT)-based calculations were performed to compute the physical properties (structural stability, mechanical behavior, and electronic, thermodynamic, and optical properties) of synthesized MAX phases Hf(2)SB, Hf(2)SC, Hf(2)SeB, Hf(2)SeC, and...
| Autores principales: | , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10500686/ https://www.ncbi.nlm.nih.gov/pubmed/37720781 http://dx.doi.org/10.1021/acsomega.3c04283 |