Phase relations, and mechanical and electronic properties of nickel borides, carbides, and nitrides from ab initio calculations

Based on density functional theory and the crystal structure prediction methods, USPEX and AIRSS, stable intermediate compounds in the Ni–X (X = B, C, and N) systems and their structures were determined in the pressure range of 0–400 GPa. It was found that in the Ni–B system, in addition to the know...

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Detalles Bibliográficos
Autores principales: Sagatov, Nursultan E., Abuova, Aisulu U., Sagatova, Dinara N., Gavryushkin, Pavel N., Abuova, Fatima U., Litasov, Konstantin D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9042266/
https://www.ncbi.nlm.nih.gov/pubmed/35497551
http://dx.doi.org/10.1039/d1ra06160g

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9042266/
https://www.ncbi.nlm.nih.gov/pubmed/35497551
http://dx.doi.org/10.1039/d1ra06160g

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