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Newly synthesized MAX phase Zr(2)SeC: DFT insights into physical properties towards possible applications

A DFT study of the synthesized MAX phase Zr(2)SeC has been carried out for the first time to explore its physical properties for possible applications in many sectors. The studied properties are compared with prior known MAX phase Zr(2)SC. The structural parameters (lattice constants, volume, and at...

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Detalles Bibliográficos
Autores principales: Ali, M. A., Qureshi, Muhammad Waqas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9031168/
https://www.ncbi.nlm.nih.gov/pubmed/35479708
http://dx.doi.org/10.1039/d1ra02345d