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Predictions on Structural and Electronic Properties to Synthesize Bismuth-Carbon Compounds in Different Periodicities
This work was carried out to explore the compounds of bismuth with carbon using density functional theory (DFT)-based computations. The structures of the compounds BiC, BiC(2), BiC(3), Bi(2)C(3), BiC(5), and Bi(2)C(5) were predicted at a generalized gradient approximation (GGA-PBE) level of theory....
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9696474/ https://www.ncbi.nlm.nih.gov/pubmed/36431634 http://dx.doi.org/10.3390/ma15228150 |