Penta-graphene: A new carbon allotrope

Shunhong Zhang, Jian Zhou, Qian Wang, Xiaoshuang Chen, Yoshiyuki Kawazoe, Puru Jena

Research output: Contribution to journalArticle

478 Citations (Scopus)

Abstract

A 2D metastable carbon allotrope, penta-graphene, composed entirely of carbon pentagons and resembling the Cairo pentagonal tiling, is proposed. State-of-the-art theoretical calculations confirm that the new carbon polymorph is not only dynamically and mechanically stable, but also can withstand temperatures as high as 1000 K. Due to its unique atomic configuration, penta-graphene has an unusual negative Poisson's ratio and ultrahigh ideal strength that can even outperform graphene. Furthermore, unlike graphene that needs to be functionalized for opening a band gap, penta-graphene possesses an intrinsic quasi-direct band gap as large as 3.25 eV, close to that of ZnO and GaN. Equally important, penta-graphene can be exfoliated from T12-carbon. When rolled up, it can form pentagon-based nanotubes which are semiconducting, regardless of their chirality. When stacked in different patterns, stable 3D twin structures of T12-carbon are generated with band gaps even larger than that of T12-carbon. The versatility of penta-graphene and its derivatives are expected to have broad applications in nanoelectronics and nanomechanics.

Original languageEnglish
Pages (from-to)2372-2377
Number of pages6
JournalProceedings of the National Academy of Sciences of the United States of America
Volume112
Issue number8
DOIs
Publication statusPublished - 2015 Feb 24

Keywords

  • Carbon allotrope
  • Carbon pentagon
  • Electronic structure
  • Negative poisson's ratio
  • Stability

ASJC Scopus subject areas

  • General

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