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En route to superhard and 1D conductive carbon allotropes via unusual sp 2–sp 3 bonding configuration

Carbon structures with sp ^2 – sp ^3 hybrid bonds were expected to exhibit both excellent mechanical and electronic properties. Here, we theoretically design several unique carbon structures, which contain unusual sp ^2 – sp ^3 hybrid bonds. We found that the introduction of sp ^2 bonding units into...

Ausführliche Beschreibung

Gespeichert in:
Hauptverfasser: Yujia Wang, Xingyu Wang, Jinyu Liu, Xinxin Zhang, Miao Zhang, Hanyu Liu
Format: Artigo
Sprache:Inglês
Veröffentlicht: IOP Publishing 2024-01-01
Schriftenreihe:New Journal of Physics
Schlagworte:
superhard material
first principles calculations
structure design
Online-Zugang:https://doi.org/10.1088/1367-2630/ad35df
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