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The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure.

Publication ,  Journal Article
Wang, X; Proserpio, DM; Oses, C; Toher, C; Curtarolo, S; Zurek, E
Published in: Angewandte Chemie (International ed. in English)
August 2022

A metallic, covalently bonded carbon allotrope is predicted via first principles calculations. It is composed of an sp3 carbon framework that acts as a diamond anvil cell by constraining the distance between parallel cis-polyacetylene chains. The distance between these sp2 carbon atoms renders the phase metallic, and yields two well-nested nearly parallel bands that cross the Fermi level. Calculations show this phase is a conventional superconductor, with the motions of the sp2 carbons being key contributors to the electron-phonon coupling. The sp3 carbon atoms impart superior mechanical properties, with a predicted Vickers hardness of 48 GPa. This phase, metastable at ambient conditions, could be made by on-surface polymerization of graphene nanoribbons, followed by pressurization of the resulting 2D sheets. A family of multifunctional materials with tunable superconducting and mechanical properties could be derived from this phase by varying the sp2 versus sp3 carbon content, and by doping.

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Published In

Angewandte Chemie (International ed. in English)

DOI

EISSN

1521-3773

ISSN

1433-7851

Publication Date

August 2022

Volume

61

Issue

32

Start / End Page

e202205129

Related Subject Headings

  • Organic Chemistry
  • 34 Chemical sciences
  • 03 Chemical Sciences
 

Citation

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Wang, X., Proserpio, D. M., Oses, C., Toher, C., Curtarolo, S., & Zurek, E. (2022). The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure. Angewandte Chemie (International Ed. in English), 61(32), e202205129. https://doi.org/10.1002/anie.202205129
Wang, Xiaoyu, Davide M. Proserpio, Corey Oses, Cormac Toher, Stefano Curtarolo, and Eva Zurek. “The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure.Angewandte Chemie (International Ed. in English) 61, no. 32 (August 2022): e202205129. https://doi.org/10.1002/anie.202205129.
Wang X, Proserpio DM, Oses C, Toher C, Curtarolo S, Zurek E. The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure. Angewandte Chemie (International ed in English). 2022 Aug;61(32):e202205129.
Wang, Xiaoyu, et al. “The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure.Angewandte Chemie (International Ed. in English), vol. 61, no. 32, Aug. 2022, p. e202205129. Epmc, doi:10.1002/anie.202205129.
Wang X, Proserpio DM, Oses C, Toher C, Curtarolo S, Zurek E. The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure. Angewandte Chemie (International ed in English). 2022 Aug;61(32):e202205129.
Journal cover image

Published In

Angewandte Chemie (International ed. in English)

DOI

EISSN

1521-3773

ISSN

1433-7851

Publication Date

August 2022

Volume

61

Issue

32

Start / End Page

e202205129

Related Subject Headings

  • Organic Chemistry
  • 34 Chemical sciences
  • 03 Chemical Sciences