Literature DB >> 22358110

Lowest enthalpy polymorph of cold-compressed graphite phase.

Da Li1, Kuo Bao, Fubo Tian, Zhenwu Zeng, Zhi He, Bingbing Liu, Tian Cui.   

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.

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Year:  2012        PMID： 22358110     DOI： 10.1039/c2cp24066a

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN： 1463-9076            Impact factor:   3.676


  6 in total

1.  Crystal structure of graphite under room-temperature compression and decompression.

Authors:  Yuejian Wang; Joseph E Panzik; Boris Kiefer; Kanani K M Lee
Journal:  Sci Rep       Date:  2012-07-19       Impact factor: 4.379

2.  Ab initio structure determination of n-diamond.

Authors:  Da Li; Fubo Tian; Binhua Chu; Defang Duan; Xiaojing Sha; Yunzhou Lv; Huadi Zhang; Nan Lu; Bingbing Liu; Tian Cui
Journal:  Sci Rep       Date:  2015-08-24       Impact factor: 4.379

3.  Structural, mechanical, and electronic properties of Rh2B and RhB2: first-principles calculations.

Authors:  Binhua Chu; Da Li; Fubo Tian; Defang Duan; Xiaojing Sha; Yunzhou Lv; Huadi Zhang; Bingbing Liu; Tian Cui
Journal:  Sci Rep       Date:  2015-06-30       Impact factor: 4.379

4.  Two Novel C₃N₄ Phases: Structural, Mechanical and Electronic Properties.

Authors:  Qingyang Fan; Changchun Chai; Qun Wei; Yintang Yang
Journal:  Materials (Basel)       Date:  2016-05-30       Impact factor: 3.623

5.  A Reinvestigation of a Superhard Tetragonal sp³ Carbon Allotrope.

Authors:  Mengjiang Xing; Binhua Li; Zhengtao Yu; Qi Chen
Journal:  Materials (Basel)       Date:  2016-06-17       Impact factor: 3.623

6.  Revealing unusual rigid diamond net analogues in superhard titanium carbides.

Authors:  Chunhong Xu; Kuo Bao; Shuailing Ma; Da Li; Defang Duan; Hongyu Yu; Xilian Jin; Fubo Tian; Bingbing Liu; Tian Cui
Journal:  RSC Adv       Date:  2018-04-18       Impact factor: 4.036
  6 in total

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