Article ID Journal Published Year Pages File Type
7854033 Carbon 2014 8 Pages PDF
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 (MD) simulations. By first-principle calculations of related potential energy curves (PEC), the model predicts that all the lifetime of free-standing single layer graphynes is more than 1044 years at room temperature. The sheets are predicted to be very stable even if the temperature gets up to 1000 K, but they quickly turn into graphene if the temperature is above 2000 K.
Related Topics
Physical Sciences and Engineering Energy Energy (General)
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