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- W1278302776 abstract "Kinetic lattice Monte Carlo simulations, implementing ab initio calibrated energetics, are applied to study the evolution of vacancy systems in graphene. The evolution of the under-coordinated atomic layer proceeds, in general, by island nucleation and growth. However, the first stage (nucleation) is strongly influenced by the stability of small aggregates (e.g. di-vacancies) and by the effective coalescence/attachment barriers. Quantitative predictions of the system kinetics in terms of crystal state and defects' morphology as a function of the initial state and the temperature can be obtained and readily compared with experimental structural characterization of processed samples." @default.
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- W1278302776 date "2016-02-01" @default.
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- W1278302776 title "Kinetic Monte Carlo simulations of vacancy evolution in graphene" @default.
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- W1278302776 doi "https://doi.org/10.1016/j.mssp.2015.07.033" @default.
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