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Theoretical research on novel orthorhombic tungsten dinitride from first principles calculations

Tungsten nitrides have been intensely studied for technological applications owing to their unique mechanical, chemical, and thermal properties. Combining first-principles calculations with an unbiased structural searching method (CALYPSO), we uncovered a novel orthorhombic structure with a space gr...

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Detalles Bibliográficos
Autores principales: Li, Qian, Wang, Jianyun, Liu, Hanyu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9078679/
https://www.ncbi.nlm.nih.gov/pubmed/35541837
http://dx.doi.org/10.1039/c8ra01099d