2020
DOI: 10.1002/pssr.201900670
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Palgraphyne: A Promising 2D Carbon Dirac Semimetal with Strong Mechanical and Electronic Anisotropy

Abstract: For next‐generation carbon‐based nanoelectronics, it is highly desirable to search for easily obtained 2D carbon allotropes with various appealing properties. Herein, based on first‐principles calculations, a new 2D carbon Dirac semimetal with orthorhombic symmetry is identified, which is composed of a carbon skeleton of para‐xylene and acetylenic linkages, and is thus termed palgraphyne [pæl'græfain]. The calculations of stability reveal not only that palgraphyne is dynamically, thermally (above 1000 K), and … Show more

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Cited by 19 publications
(19 citation statements)
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“…The results show that the Fermi velocities of the Dirac point D 1 along the ΓÀX direction and D 2 along the XÀS direction are 6.55 Â 10 5 , 1.55 Â 10 4 and 3.86 Â 10 5 , 9.13 Â 10 4 m s À1 . The largest Fermi velocity is 6.55 Â 10 5 m s À1 , which is smaller than that of graphene (9.0 Â 10 5 m s À1 ) [10] but larger than those of α-graphdiyne (1.10 Â 10 5 m s À1 ), [69] ph-graphene (2.80 Â 10 5 m s À1 ), [39] and 6,6,12-graphyne (1.68-6.29 Â 10 5 m s À1 ). [70] The results show that TPH-graphene with high electron transfer ability has great potential applications in nanoelectronics.…”
Section: Resultsmentioning
confidence: 80%
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“…The results show that the Fermi velocities of the Dirac point D 1 along the ΓÀX direction and D 2 along the XÀS direction are 6.55 Â 10 5 , 1.55 Â 10 4 and 3.86 Â 10 5 , 9.13 Â 10 4 m s À1 . The largest Fermi velocity is 6.55 Â 10 5 m s À1 , which is smaller than that of graphene (9.0 Â 10 5 m s À1 ) [10] but larger than those of α-graphdiyne (1.10 Â 10 5 m s À1 ), [69] ph-graphene (2.80 Â 10 5 m s À1 ), [39] and 6,6,12-graphyne (1.68-6.29 Â 10 5 m s À1 ). [70] The results show that TPH-graphene with high electron transfer ability has great potential applications in nanoelectronics.…”
Section: Resultsmentioning
confidence: 80%
“…Due to the bonding flexibility of carbon atoms, numerous 2D carbon allotropes have been proposed theoretically. [6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21] These carbon allotropes exhibit some amazing properties, such as ultrahigh ideal strength, [9] high electron mobility at room temperature, [8] superconductivity, [22] good catalytic activity, [23] ferromagnetism, [24] and negative Poisson's ratio. [9,25] It is no doubt that the fascinating properties will encourage further investigations of these 2D carbon materials.…”
Section: Introductionmentioning
confidence: 99%
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“…Such band crossing characteristics are protected by crystal symmetry, which makes them have a very attractive application prospect in electronic devices, semiconductors, and other fields. [ 128 ] Whereas, topological Dirac materials discovered so far usually contain heavy metal elements, which are confronted with some tough problems that are not conductive to practical applications, for example, environmental pollution, high cost, and material safety. Therefore, it is necessary to explore light elements to compose stable topological materials.…”
Section: Properties Of Borophenementioning
confidence: 99%
“…[ 41–44 ] In addition, more and more carbon‐based materials are being discovered for their excellent performance. [ 45–49 ] Recently, a new strategy has focused on managing phonons with nanoporous graphene (NPG) design, which aid effective heat control by engineering phonon band structures. [ 50 ] Especially, the manipulation of phonons in NPG is governed by phonon confinement and coherent interference mechanisms.…”
Section: Figurementioning
confidence: 99%