High-Throughput Computation of New Carbon Allotropes with Diverse Hybridization and Ultrahigh Hardness

The discovery of new carbon allotropes with different building blocks and crystal symmetries has long been of great interest to broad materials science fields. Herein, we report several hundred new carbon allotropes predicted by the state-of-the-art <inline-formula><math display="inline"><semantics>...

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Autors principals:	Mohammed Al-Fahdi, Alejandro Rodriguez, Tao Ouyang, Ming Hu
Format:	Artigo
Idioma:	Inglês
Publicat:	MDPI AG 2021-07-01
Col·lecció:	Crystals
Matèries:	carbon allotropes atomic descriptors mechanical properties Vickers’ hardness superhard materials high-throughput computing
Accés en línia:	https://www.mdpi.com/2073-4352/11/7/783
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