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
Hauptverfasser: Kondrin, M V, Lebed, Y B, Brazhkin, V V
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Sprache:eng
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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.
ISSN:1466-8033
DOI:10.1039/d2ce01561g