Abstract
Rearrangements of the graphene layers under iterated Stone-Wales rotations are studied here from a pure topological point of view. The analysis provides indications about the relative chemical stability of different isomeric distributions of pentagon–heptagon pairs, the 5|7 structural defects, diffusing in the graphene layer. Our computations are performed in the dual topological space, the Wiener index being taken as the topological potential of the system that rules the migration of the defects in the graphenic lattice.
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References
Cataldo F, Ori O, Iglesias-Groth S (2010) Mol Simulat 36(5):341–353
Cataldo F, Ori O, Graovac A (2011) Int J Chem Mod 3(1–2):45–64
Hashimoto A, Suenaga K, Gloter A, Urita K, Iijima S (2004) Nature 430:870–873
Jeong BW, Ihm J, Lee G-D (2008) Phys Rev B 78:165403(5)
Krasheninnikov AV, Nordlund K, Sirviö M, Salonen E, Keinonen J (2001) Phys Rev B 63:245405(4)
Nordlund K, Keinonen J, Mattila T (1996) Phys Rev Lett 77:699–702
Ori O, Cataldo F (2011) Chem Phys Lett. in press
Ori O, Cataldo F, Vukicevic D, Graovac A (2011) Iran J Math Chem, in press
Samsonidze GeG, Samsonidze GG, Yakobson BI (2002) Comp Mat Sci 23:62–72
Todeschini R, Consonni V (2000) Handbook of molecular descriptors. Wiley-VCH, Weinheim
Vukicevic D, Cataldo F, Ori O, Graovac A (2011) Chem Phys Lett 501:442–445
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Ori, O., Cataldo, F., Graovac, A. (2011). On Topological Modeling of 5|7 Structural Defects Drifting in Graphene. In: Putz, M. (eds) Carbon Bonding and Structures. Carbon Materials: Chemistry and Physics, vol 5. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-1733-6_3
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DOI: https://doi.org/10.1007/978-94-007-1733-6_3
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