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arXiv · 1310.2116

If graphynes turn into graphene: the thermal stability study

Yi-Guo Xu·Chen Ming·Zheng-Zhe Lin·Fan-Xin Meng·Jun Zhuang·Xi-Jing Ning
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Abstract

The thermal stability of $α$-, $β$-, 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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Yi-Guo Xu, Chen Ming, Zheng-Zhe Lin, Fan-Xin Meng, Jun Zhuang, Xi-Jing Ning. 2013-10-08. If graphynes turn into graphene: the thermal stability study. https://arxiv.org/abs/1310.2116

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