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 Chemical structure of graphyne-1
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Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Graphyne is an allotrope of carbon. Its structure is one-atom-thick planar sheets of sp and sp2-bonded carbon atoms arranged in crystal lattice. It can be seen as a lattice of benzene rings connected by acetylene bonds. The material is called graphyne-n when benzene rings are connected by n sequential acetylene molecules, and graphdiyne for a particular case of n = 2 (diacetylene links).
Depending on the content of acetylene groups, graphyne can be considered a mixed hybridization, spk, where k can be 1 or 2,[1][2] and thus differs from the hybridization of graphene (considered pure sp2) and diamond (pure sp3).
First-principles calculations showed that periodic graphyne structures and their boron nitride analogues are stable. The calculations used phonon dispersion curves and ab-initio finite temperature, quantum mechanical molecular dynamics simulations.[3]
- ^ Heimann, R.B.; Evsvukov, S.E.; Koga, Y. (1997). "Carbon allotropes: a suggested classification scheme based on valence orbital hybridization". Carbon. 35 (10–11): 1654–1658. doi:10.1016/S0008-6223(97)82794-7.
- ^ Enyashin, Andrey N.; Ivanovskii, Alexander L. (2011). "Graphene Allotropes". Physica Status Solidi B. 248 (8): 1879–1883. Bibcode:2011PSSBR.248.1879E. doi:10.1002/pssb.201046583. S2CID 125591804.
- ^ Özçelik, V. Ongun; Ciraci, S. (January 10, 2013). "Size Dependence in the Stabilities and Electronic Properties of α-Graphyne and Its Boron Nitride Analogue". The Journal of Physical Chemistry C. 117 (5): 2175–2182. arXiv:1301.2593. doi:10.1021/jp3111869. S2CID 44136901.
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