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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Lebed, Y B
Brazhkin, V V
description 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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source Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection
subjects Critical temperature
First principles
Graphene
Polymers
Pressure
title A new polymorph of graphene monoxide: an all-sp3 bonded metal and ambient pressure superconductor
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