This article is cited in 6 papers

Graphenes

Various Stone–Wales defects in phagraphene

L. A. Openov^a, A. I. Podlivaev<sup>ab

a</sup> National Engineering Physics Institute "MEPhI", Moscow
^b Research Institute for the Development of Scientific and Educational Potential of Youth, Moscow

Abstract: Various Stone–Wales defects in phagraphene, which is a graphene allotrope, predicted recently are studied in terms of the nonorthogonal tight-binding model. The energies of the defect formation and the heights of energy barriers preventing the formation and annealing of the defects are found. Corresponding frequency factors in the Arrhenius formula are calculated. The evolution of the defect structure is studied in the real-time mode using the molecular dynamics method.

Received: 03.02.2016

 English version: Physics of the Solid State, 2016, 58:8, 1705–1710

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