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Predicting experimentally stable allotropes: Instability of penta-graphene

Lookup NU author(s): Dr Mark Rayson, Professor Patrick Briddon


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In recent years, a plethora of theoretical carbon allotropes have been proposed, none of which has been experimentally isolated. We discuss here criteria that should be met for a new phase to be potentially experimentally viable. We take as examples Haeckelites, 2D networks of sp(2)-carbon-containing pentagons and heptagons, and "penta-graphene," consisting of a layer of pentagons constructed from a mixture of sp(2)- and sp(3)-coordinated carbon atoms. In 2D projection appearing as the "Cairo pattern," penta-graphene is elegant and aesthetically pleasing. However, we dispute the author's claims of its potential stability and experimental relevance.

Publication metadata

Author(s): Ewels CP, Rocquefelte X, Kroto HW, Rayson MJ, Briddon PR, Heggie MI

Publication type: Article

Publication status: Published

Journal: Proceedings of the National Academy of Sciences of the United States of America

Year: 2015

Volume: 112

Issue: 51

Pages: 15609-15618

Online publication date: 22/12/2015

Acceptance date: 01/01/1900

ISSN (print): 0027-8424

ISSN (electronic): 1091-6490

Publisher: National Academy of Sciences


DOI: 10.1073/pnas.1520402112


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Funder referenceFunder name
Heidelberg Graduate School for Mathematical and Computational Methods in the Sciences
PF 790/1-1Deutsche Forschungsgemeinschaft
X-MuSiC-616783European Research Council