Issue 23, 2013
From the journal:

Journal of Materials Chemistry C

Two-dimensional carbon allotropes from graphene to graphyne

Haigang Lu*a  and  Si-Dian Lia  

* Corresponding authors

a Key Laboratory of Chemical Biology and Molecular Engineering of the Education Ministry, Institute of Molecular Science, Shanxi University, Taiyuan, Shanxi 030006, P. R. China
E-mail: luhg@sxu.edu.cn

Abstract

Graphene has attracted tremendous interest due to its extraordinary electrical, thermal, and physical properties. The graphynes are widely investigated for their variety of structures and electrical properties. Using the ab initio global search approach, we predicted three hexagonal and one tetragonal two-dimensional carbon allotrope: C65-, C63-, C31- and C41-sheets. Graphene, C65-sheet, graphenylene, C63-sheet, and graphyne form a series of graphene-like allotropes from graphene to graphyne. These four new carbon allotropes are metallic and are local minimums in their potential energy surfaces. These two-dimensional carbon allotropes are expected to serve as precursors to build various nanotubes, fullerenes, nanoribbons, and other low-dimensional nanomaterials.

Graphical abstract: Two-dimensional carbon allotropes from graphene to graphyne

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Article information

DOI
https://doi.org/10.1039/C3TC30302K
Article type
Paper
Submitted
16 Feb 2013
Accepted
04 Apr 2013
First published
04 Apr 2013

J. Mater. Chem. C, 2013,1, 3677-3680

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Two-dimensional carbon allotropes from graphene to graphyne

H. Lu and S. Li, J. Mater. Chem. C, 2013, 1, 3677 DOI: 10.1039/C3TC30302K

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