The role of sp(2) and sp(3) hybridized bonds on the structural, mechanical, and electronic properties in a hard BN framework

A first-principles approach is used to systematically investigate the role of sp(2) and sp(3) hybridized bonds on the structural, mechanical, and electronic properties in a new BN phase (denoted Hex-(BN)(12)). Hex-(BN)(12) has the same number of sp(2) and sp(3) hybridized atoms. The calculated cohes...

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Detalles Bibliográficos
Autores principales: Bu, Hongxia, Zheng, Haibin, Zhou, Hongcai, Zhang, Hongyu, Yang, Zaifa, Liu, Zhie, Wang, Hui, Xu, Qi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9059975/
https://www.ncbi.nlm.nih.gov/pubmed/35520482
http://dx.doi.org/10.1039/c8ra09636h

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