Author/Authors :
Xu، نويسنده , , Yi-Guo and Ming، نويسنده , , Chen and Lin، نويسنده , , Zheng-Zhe and Meng، نويسنده , , Fan-Xin and Zhuang، نويسنده , , Jun-Song Ning، نويسنده , , Xi-Jing، نويسنده ,
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.
