The Rise of 212 MAX Phase Borides: DFT Insights into the Physical Properties of Ti(2)PB(2), Zr(2)PbB(2), and Nb(2)AB(2) [A = P, S] for Thermomechanical Applications

[Image: see text] In this article, ab initio calculations of unexplored Ti(2)PB(2), Zr(2)PbB(2), and Nb(2)AB(2) [A = P, S] were performed wherein Ti(2)PB(2) along with its 211 boride phase Ti(2)PB was predicted for the first time. The stability was confirmed by calculating the formation energy, phon...

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Detalles Bibliográficos
Autores principales: Ali, Md. Ashraf, Hossain, Md. Mukter, Uddin, Md. Mohi, Islam, A. K. M. Azharul, Naqib, Saleh Hasan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9835788/
https://www.ncbi.nlm.nih.gov/pubmed/36643448
http://dx.doi.org/10.1021/acsomega.2c06331

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9835788/
https://www.ncbi.nlm.nih.gov/pubmed/36643448
http://dx.doi.org/10.1021/acsomega.2c06331

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