Literature DB >> 26262429

Phagraphene: A Low-Energy Graphene Allotrope Composed of 5-6-7 Carbon Rings with Distorted Dirac Cones.

Zhenhai Wang1,2, Xiang-Feng Zhou2,3, Xiaoming Zhang4, Qiang Zhu2, Huafeng Dong2, Mingwen Zhao4, Artem R Oganov2,5,6,7.   

Abstract

Using systematic evolutionary structure searching we propose a new carbon allotrope, phagraphene [fæ'græfi:n], standing for penta-hexa-hepta-graphene, because the structure is composed of 5-6-7 carbon rings. This two-dimensional (2D) carbon structure is lower in energy than most of the predicted 2D carbon allotropes due to its sp(2)-binding features and density of atomic packing comparable to graphene. More interestingly, the electronic structure of phagraphene has distorted Dirac cones. The direction-dependent cones are further proved to be robust against external strain with tunable Fermi velocities.

Entities:  

Keywords:  Two-dimensional carbon allotrope; density functional theory; distorted Dirac cones; energy band inversion; evolutionary algorithm; tight binding

Year:  2015        PMID: 26262429     DOI: 10.1021/acs.nanolett.5b02512

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


  20 in total

1.  Hexatetra-Carbon: A Novel Two-Dimensional Semiconductor Allotrope of Carbon.

Authors:  Mosayeb Naseri; Jaafar Jalilian; Dennis R Salahub; Maicon Pierre Lourenço; Ghasem Rezaei
Journal:  Computation (Basel)       Date:  2022-01-25

2.  Nanoleite: a new semiconducting carbon allotrope predicted by density functional theory.

Authors:  Ru Li; Larry A Burchfield; Khalid Askar; Mohamed Al Fahim; Hamdan Bin Issa Al Nahyan; Daniel S Choi
Journal:  RSC Adv       Date:  2020-10-22       Impact factor: 4.036

3.  Prediction of allotropes of tellurium with molecular, one- and two-dimensional covalent nets for photofunctional applications.

Authors:  Heng Zhang; Junjie Wang; Frédéric Guégan; Shuyin Yu; Gilles Frapper
Journal:  RSC Adv       Date:  2021-09-10       Impact factor: 4.036

4.  Electronic and optical properties of B x C y N z hybrid α-graphynes.

Authors:  A Freitas; L D Machado; C G Bezerra; R M Tromer; S Azevedo
Journal:  RSC Adv       Date:  2019-10-31       Impact factor: 4.036

5.  Penta-BxNy sheet: a density functional theory study of two-dimensional material.

Authors:  Jiao Li; Xinyu Fan; Yanpei Wei; Gang Chen
Journal:  Sci Rep       Date:  2016-08-19       Impact factor: 4.379

6.  Studying the electronic and phononic structure of penta-graphane.

Authors:  Hamideh Einollahzadeh; Seyed Mahdi Fazeli; Reza Sabet Dariani
Journal:  Sci Technol Adv Mater       Date:  2016-10-07       Impact factor: 8.090

7.  First-principles study of structural, elastic and electronic properties of naphyne and naphdiyne.

Authors:  Chuan Liu; Zixiang Liu; Xiangju Ye; Ping Cheng; Yingjie Li
Journal:  RSC Adv       Date:  2020-09-24       Impact factor: 4.036

8.  Auxetic Carbon Honeycomb: Strain-Tunable Phase Transitions and Novel Negative Poisson's Ratio.

Authors:  Yanchun Li; Shuaiwei Wang; Baocheng Yang
Journal:  ACS Omega       Date:  2021-05-28

9.  Strain-driven band inversion and topological aspects in Antimonene.

Authors:  Mingwen Zhao; Xiaoming Zhang; Linyang Li
Journal:  Sci Rep       Date:  2015-11-05       Impact factor: 4.379

Review 10.  The recent advancement of low-dimensional nanostructured materials for drug delivery and drug sensing application: A brief review.

Authors:  Hamidur Rahman; Md Rakib Hossain; Tahmina Ferdous
Journal:  J Mol Liq       Date:  2020-09-30       Impact factor: 6.165

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