Effect of support on the coalescence between Ag@Au nanoalloys using MD simulations

In this study, the coalescence process has been investigated for icosahedral 147-atom Ag0.5@Au0.5 nanoalloys in vacuum and supported on graphite, (10,0) carbon nanotube (CNT), (20,0) CNT, and (12,12) CNT. We have investigated the effect of support on the different thermodynamics, dynamics, and structural properties of the nanoalloys during the coalescence process. According to the obtained results, the support has significant effect on the different properties of clusters during the coalescence process.