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....

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Detalles Bibliográficos
Autores principales: Majid, Abdul, Younes, Tariq M., Jabeen, Alia, Batool, Hira, Alkhedher, Mohammad, ElDin, Sayed M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9696474/
https://www.ncbi.nlm.nih.gov/pubmed/36431634
http://dx.doi.org/10.3390/ma15228150

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