Issue 13, 2012
From the journal:

Physical Chemistry Chemical Physics

Lowest enthalpy polymorph of cold-compressed graphite phase

Da Li,a   Kuo Bao,a   Fubo Tian,a   Zhenwu Zeng,a   Zhi He,a   Bingbing Liua  and  Tian Cui*a  

* Corresponding authors

a State Key Lab of Superhard Materials, College of Physics, Jilin University, Changchun 130012, P. R. China
E-mail: cuitian@jlu.edu.cn
Fax: +86-431-85168825
Tel: +86-431-85168825

Abstract

Based on an ab initio evolutionary algorithm, a novel carbon polymorph with an orthorhombic Cmcm symmetry is predicted, named as C carbon, which has the lowest enthalpy among the previously proposed cold-compressed graphite phases.

Graphical abstract: Lowest enthalpy polymorph of cold-compressed graphite phase

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Article information

DOI
https://doi.org/10.1039/C2CP24066A
Article type
Communication
Submitted
21 Dec 2011
Accepted
09 Feb 2012
First published
09 Feb 2012

Phys. Chem. Chem. Phys., 2012,14, 4347-4350

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Lowest enthalpy polymorph of cold-compressed graphite phase

D. Li, K. Bao, F. Tian, Z. Zeng, Z. He, B. Liu and T. Cui, Phys. Chem. Chem. Phys., 2012, 14, 4347 DOI: 10.1039/C2CP24066A

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