Liu, Lingyu ; Hu, Meng ; Liu, Chao ; Shao, Cancan ; Pan, Yilong ; Ma, Mengdong ; Wu, Yingju ; Zhao, Zhisheng ; Gao, Guoying ; He, Julong (2018)
3D hybrid carbon composed of multigraphene bridged by carbon chains.
In: AIP Advances, 8 (1)
doi: 10.1063/1.5019339
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
The element carbon possesses various stable and metastable allotropes; some of them have been applied in diverse fields. The experimental evidences of both carbon chain and graphdiyne have been reported. Here, we reveal the mystery of an enchanting carbon allotrope with sp-, sp2-, and sp3-hybridized carbon atoms using a newly developed ab initio particle-swarm optimization algorithm for crystal structure prediction. This crystalline allotrope, namely m-C12, can be viewed as braided mesh architecture interwoven with multigraphene and carbon chains. The m-C12 meets the criteria for dynamic and mechanical stabilities and is energetically more stable than carbyne and graphdiyne. Analysis of the B/G and Poisson’s ratio indicates that this allotrope is ductile. Notably, m-C12 is a superconducting carbon with Tc of 1.13 K, which is rare in the family of carbon allotropes.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2018 |
| Autor(en): | Liu, Lingyu ; Hu, Meng ; Liu, Chao ; Shao, Cancan ; Pan, Yilong ; Ma, Mengdong ; Wu, Yingju ; Zhao, Zhisheng ; Gao, Guoying ; He, Julong |
| Art des Eintrags: | Bibliographie |
| Titel: | 3D hybrid carbon composed of multigraphene bridged by carbon chains |
| Sprache: | Englisch |
| Publikationsjahr: | 2018 |
| Verlag: | AIP Publishing |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | AIP Advances |
| Jahrgang/Volume einer Zeitschrift: | 8 |
| (Heft-)Nummer: | 1 |
| DOI: | 10.1063/1.5019339 |
| URL / URN: | https://doi.org/10.1063/1.5019339 |
| Kurzbeschreibung (Abstract): | The element carbon possesses various stable and metastable allotropes; some of them have been applied in diverse fields. The experimental evidences of both carbon chain and graphdiyne have been reported. Here, we reveal the mystery of an enchanting carbon allotrope with sp-, sp2-, and sp3-hybridized carbon atoms using a newly developed ab initio particle-swarm optimization algorithm for crystal structure prediction. This crystalline allotrope, namely m-C12, can be viewed as braided mesh architecture interwoven with multigraphene and carbon chains. The m-C12 meets the criteria for dynamic and mechanical stabilities and is energetically more stable than carbyne and graphdiyne. Analysis of the B/G and Poisson’s ratio indicates that this allotrope is ductile. Notably, m-C12 is a superconducting carbon with Tc of 1.13 K, which is rare in the family of carbon allotropes. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Disperse Feststoffe 11 Fachbereich Material- und Geowissenschaften |
| Hinterlegungsdatum: | 13 Apr 2018 11:53 |
| Letzte Änderung: | 13 Apr 2018 11:53 |
| PPN: | |
| Sponsoren: | This work was supported by National Natural Science Foundation of China (NSFC) (51421091, 51472213, 51332005, 51525205, 51672238, and 51722209). |
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