Graphene allotropes

Enyashin, Andrey N.; Ivanovskiĭ, A. L.

doi:10.1002/pssb.201046583

Cited by 416 publications

(342 citation statements)

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“…Previous DFT studies [20,[31][32][33][34][35] concerned with the calculation of electronic properties of graphynes classified them as semiconducting or metallic materials without investigating the possibility of the presence of Dirac cones. In one semiempirical study [36], which employed the density-functional-based tight-binding method, hints on the presence of a graphenelike electronic structure were given for one graphyne. We note in passing that Dirac cones were observed at interfaces of topological insulators [37,38].…”

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Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones

et al. 2012

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The existence of Dirac cones in the band structure of two-dimensional materials accompanied by unprecedented electronic properties is considered to be a unique feature of graphene related to its hexagonal symmetry. Here, we present other two-dimensional carbon materials, graphynes, that also possess Dirac cones according to first-principles electronic structure calculations. One of these materials, 6,6,12-graphyne, does not have hexagonal symmetry and features two self-doped nonequivalent distorted Dirac cones suggesting electronic properties even more amazing than that of graphene.

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Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones

et al. 2012

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“…8,[12][13][14][15][16][17][18] Recently, it was shown that other two-dimensional materials can also be stable and that they widen the potential of two-dimensional materials for applications. [19][20][21][22] Of particular importance are graphene-like carbon allotropes, called graphyne structures composed of one-atom-thick sheets of carbon atoms but containing sp carbon bonds in addition to sp 2 hybridized bonds [23][24][25] (see Fig. 1).…”

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Electronic, phononic, and thermoelectric properties of graphyne sheets

Sevinçli

Sevik

2014

Appl. Phys. Lett.

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Electron, phonon, and thermoelectric transport properties of a-, b-, c-, and 6,6,12-graphyne sheets are compared and contrasted with those of graphene. a-, b-, and 6,6,12-graphynes, with direction dependent Dirac dispersions, have higher electronic transmittance than graphene. c-graphyne also attains better electrical conduction than graphene except at its band gap. Vibrationally, graphene conducts heat much more efficiently than graphynes, a behavior beyond an atomic density differences explanation. Seebeck coefficients of the considered Dirac materials are similar but thermoelectric power factors decrease with increasing effective speeds of light. c-graphyne yields the highest thermoelectric efficiency with a thermoelectric figure of merit as high as ZT ¼ 0.45, almost an order of magnitude higher than that of graphene. V C 2014 AIP Publishing LLC.[http://dx.doi.org/10.1063/1.4902920] Graphene and its functionalized forms have many extraordinary physical properties, such as robustness, stability, flexibility, very high thermal, and electrical conductivities, 1-8 which inspired numerous studies exploring the possibilities for adapting them for technological applications in the fields of not only electronics, photonics, and optoelectronics, 9-11 but also thermoelectrics and thermal management of nano-devices. 8,[12][13][14][15][16][17][18] Recently, it was shown that other two-dimensional materials can also be stable and that they widen the potential of two-dimensional materials for applications. [19][20][21][22] Of particular importance are graphene-like carbon allotropes, called graphyne structures composed of one-atom-thick sheets of carbon atoms but containing sp carbon bonds in addition to sp 2 hybridized bonds 23-25 (see Fig. 1). Indeed, assembled subunits of several graphyne structures 26-28 and another similar graphene allotrope including triple-bonded carbon linkages, so-called graphdiyne films and nanoribbons have already been synthesized. 29,30 Theoretical calculations have shown that these lowdimensional structures have unique mechanical, 24,31-33 thermal, 34,35 optical, 36 and particularly electrical [37][38][39][40][41][42] properties as peculiar as those of graphene. For instance, 6,6,12-graphyne, exhibit direction-dependent conductivity due to its electronic structure possessing two self-doped nonequivalent distorted Dirac cones. 38 On the other hand, c-graphyne has a direct energy band gap, 43,44 which is appealing for electronic applications. 45 Considering that one of the most important concerns about graphene is the difficulty to manipulate its electronic conduction due to absence of a band gap, c-graphyne was argued to be more suitable for electronics. 46 More recently, thermoelectric properties of graphynes were reported to have interesting features. 35,47,48 Yet, the potential of graphynes for applications require further investigations.In this work, electronic, phononic, and thermoelectric transport properties of four types of graphyne structures, namely, a-, b-, c-, and 6,6,12-graphynes,...

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“…Two of these nets are enantiomorphic and only 11 Kepler nets are usually taken into consideration. There are shown in Fig.…”

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confidence: 99%

Hypothetical planar and nanotubular crystalline structures with five interatomic bonds of Kepler nets type

Kochaev

2017

AIP Advances

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Absorption enhancement and total absorption in a graphene-waveguide hybrid structure AIP Advances 7, 025101 (2017) The possibility of metastable existence of planar and non-chiral nanotubular crystalline lattices in the form of Kepler nets of 343 2 4, 3 3 4 2 , and 3 4 6 types (the notations are given in Schläfly symbols), using ab initio calculations, has researched. Atoms of P, As, Sb, Bi from 15 th group and atoms of S, Se, Te from 16 th group of the periodic table were taken into consideration. The lengths of interatomic bonds corresponding to the steadiest states for such were determined. We found that among these new composed structures crystals encountered strong elastic properties. Besides, some of them can possess pyroelectric and piezoelectric properties. Our results can be used for nanoelectronics and nanoelectromechanical devices designing. © 2017 Author (s)

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Graphene allotropes

Abstract: Using the density-functional-based tight-binding method (DF-TB) we performed a systematic comparative study of stability, structural, and electronic properties for 12 various types of graphene allotropes, which are likely candidates for engineering of novel graphene-like materials.

Cited by 416 publications

References 33 publications

Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones

Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones

Electronic, phononic, and thermoelectric properties of graphyne sheets

Hypothetical planar and nanotubular crystalline structures with five interatomic bonds of Kepler nets type

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