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arxiv: 1310.2116 · v1 · pith:XE2JCRNHnew · submitted 2013-10-08 · ❄️ cond-mat.mes-hall

If graphynes turn into graphene: the thermal stability study

classification ❄️ cond-mat.mes-hall
keywords temperaturegraphenegraphynesmodelstabilitythermalturnalpha
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The thermal stability of $\alpha$-, $\beta$-, 6,6,12-graphyne and graphdiyne was studied by a statistic model, which was seriously tested by classical molecular dynamics simulations. By first-principles calculations of related potential energy curves, the model predicts that all the lifetime of free-standing single layer graphynes considered is more than 10$^{44}$ years at room temperature. When the temperature gets up to 1000 K, they are still very stable, but quickly turn into graphene if the temperature is about 2000 K

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