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Designing a sp3 structure of carbon T-C9: First-principles calculations

A novel superhard carbon allotrope T-C9 with an all-sp3 bonding network is theoretically predicted in this work. The new phase of the carbon allotrope has tetragonal symmetry with space group P-4m2, and the structural properties, stability, mechanical anisotropy, mechanical and electronic properties...

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Autori principali: Heng Liu, Qingyang Fan, Li Jiang, Wei Zhang, Yanxing Song, Xinhai Yu, Sining Yun
Natura: Artigo
Lingua:Inglês
Pubblicazione: Elsevier 2020-12-01
Serie:Results in Physics
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Accesso online:http://www.sciencedirect.com/science/article/pii/S2211379720321094
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