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- W1854393424 abstract "We perform {textit ab initio} calculations for the strain-induced formation of non-hexagonal-ring defects in graphene, graphane (planar CH), and graphenol (planar COH). We find that the simplest of such topological defects, the Stone-Wales defect, acts as a seed for strain-induced dissociation and multiplication of topological defects. Through the application of inhomogeneous deformations to graphene, graphane and graphenol with initially small concentrations of pentagonal and heptagonal rings, we obtain several novel stable structures that possess, at the same time, large concentrations of non-hexagonal rings (from fourfold to elevenfold) and small formation energies." @default.
- W1854393424 created "2016-06-24" @default.
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- W1854393424 date "2012-12-21" @default.
- W1854393424 modified "2023-09-26" @default.
- W1854393424 title "Non-hexagonal-ring defects and structures induced by healing and strain in graphene and functionalized graphene" @default.
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- W1854393424 doi "https://doi.org/10.1088/0957-4484/24/3/035708" @default.
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