4.8 Article

Predicting experimentally stable allotropes: Instability of penta-graphene

Publisher

NATL ACAD SCIENCES
DOI: 10.1073/pnas.1520402112

Keywords

nanocarbon; modeling; allotropes; penta-graphene; Haeckelite

Funding

  1. Deutsche Forschungsgemeinschaft [PF 790/1-1]
  2. European Research Council [X-MuSiC-616783]
  3. Heidelberg Graduate School for Mathematical and Computational Methods in the Sciences
  4. EPSRC [EP/F009917/1] Funding Source: UKRI
  5. Engineering and Physical Sciences Research Council [EP/F009917/1] Funding Source: researchfish

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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.

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