Literature DB >> 19281212

B2C graphene, nanotubes, and nanoribbons.

Xiaojun Wu1, Yong Pei, Xiao Cheng Zeng.   

Abstract

We report a first-principles prediction of a new two-dimensional inorganic material, namely, the B(2)C graphene in which the boron and carbon atoms are packed into a mosaic of hexagons and rhombuses. In the B(2)C graphene, each carbon atom is bonded with four boron atoms, forming a planar-tetracoordinate carbon (ptC) moiety, a notion first conceived by Hoffmann et al. The B(2)C graphene is possibly a metal with a small overlap in the energy of conduction and valence bands. Like the carbon graphene and nanotubes, a B(2)C graphene sheet can be rolled into various forms of B(2)C nanotubes as well. Depending on the roll-up vector, the B(2)C nanotubes may become either a metal or a semiconductor. All B(2)C graphene nanoribbons are predicted to be uniformly metallic, regardless of their width and edge structure.

Entities:  

Year:  2009        PMID: 19281212     DOI: 10.1021/nl803758s

Source DB:  PubMed          Journal:  Nano Lett        ISSN: 1530-6984            Impact factor:   11.189


  6 in total

1.  Two-dimensional B[Formula: see text]C as a potential anode material for Mg-ion batteries with extremely high theoretical capacity.

Authors:  Grzegorz T Kasprzak; Artur P Durajski
Journal:  Sci Rep       Date:  2022-07-06       Impact factor: 4.996

2.  Computational quest for spherical C12B68 fullerenes with "magic" π-electrons and quasi-planar tetra-coordinated carbon.

Authors:  Fengyu Li; De-en Jiang; Zhongfang Chen
Journal:  J Mol Model       Date:  2014-02-14       Impact factor: 1.810

3.  First-Principles Observation of Bonded 2D B4C3 Bilayers.

Authors:  Jiacai Shen; Feng Zheng; Shaoxian Wang; Zi-Zhong Zhu; Shunqing Wu; Xiao-Fei Li; Xinrui Cao; Yi Luo
Journal:  ACS Omega       Date:  2021-05-13

4.  Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers.

Authors:  Cunzhi Zhang; Shunhong Zhang; Qian Wang
Journal:  Sci Rep       Date:  2016-07-12       Impact factor: 4.379

5.  Theoretical prediction of a graphene-like 2D uranyl material with p-orbital antiferromagnetism.

Authors:  Xiao-Kun Zhao; Chang-Su Cao; Jin-Cheng Liu; Jun-Bo Lu; Jun Li; Han-Shi Hu
Journal:  Chem Sci       Date:  2022-05-26       Impact factor: 9.969

6.  Semi-metallic Be5C2 monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson's ratio.

Authors:  Yu Wang; Feng Li; Yafei Li; Zhongfang Chen
Journal:  Nat Commun       Date:  2016-05-03       Impact factor: 14.919

  6 in total

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