Three Dimensional Metallic Carbon from Distorting sp3-Bond

Yong Cheng, Roderick Melnik, Yoshiyuki Kawazoe, Bin Wen

Research output: Contribution to journalArticlepeer-review

19 Citations (Scopus)

Abstract

Owing to the outstanding properties of metallic carbon as well as their great potential applications, design and synthesis of metallic carbon have long attracted considerable attention. In this work, a new three-dimensional metallic carbon (dubbed as Tri-C9) has been built by distorting the sp3 hybridization bond. Our first-principles calculations results indicate that Tri-C9 is a metastable metallic carbon, and that the metallic behavior of Tri-C9 originates from the π bonds near Fermi level. This study offers a new way to design all-sp3 hybridized metallic carbon via distorting the sp3-bond. In addition, a feasible synthesis route for Tri-C9 has been proposed by compressing graphite.

Original languageEnglish
Pages (from-to)1360-1365
Number of pages6
JournalCrystal Growth and Design
Volume16
Issue number3
DOIs
Publication statusPublished - 2016 Mar 2

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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