A new polymorph of graphene monoxide: an all-sp3 bonded metal and ambient pressure superconductor
In this brief report, we propose the ab initio prediction of a new polymer of carbon monoxide, previously overlooked in extensive searches for its phases. This polymer (named γ-graphene monoxide) is more energetically favorable at ambient pressure than molecular CO, and possesses a set of unusual pr...
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Veröffentlicht in: | CrystEngComm 2023-02, Vol.25 (9), p.1328-1332 |
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Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | In this brief report, we propose the ab initio prediction of a new polymer of carbon monoxide, previously overlooked in extensive searches for its phases. This polymer (named γ-graphene monoxide) is more energetically favorable at ambient pressure than molecular CO, and possesses a set of unusual properties. Both first principles calculations and straightforward crystallochemistry analysis suggest that it is metallic at ambient pressure, and even superconducting with a critical temperature Tc = 4–20 K. |
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ISSN: | 1466-8033 |
DOI: | 10.1039/d2ce01561g |