Surface evolution of Janus Cu-Ag nanoparticles: Influence of atom arrangements and interface structures

MF Liang and ZY Xiong and YM Hu and YL Liu and T Shen and SH Sun and Y Zhu, FUNCTIONAL MATERIALS LETTERS, 13, 2050037 (2020).

DOI: 10.1142/S179360472050037X

In this paper, the effect of the atom ratio and interface structure on the surface evolution of Janus Cu-Ag Nanoparticles (NPs) were studied by molecular dynamics (MDs) simulation during sintering process. The results show that Cu/Ag alloys tend to form the Cu-core@Ag-shell NPs with stable configuration in the case of excessive Ag. However, the different arrangements of atoms and interface lead to Janus Cu-Ag NPs exhibiting unique coalescence during the contact stage of sintering process, and the interface with Cu/Ag two-type atoms is more likely to diffuse. Moreover, the systems gradually change from separate NPs to a uniform Cu/Ag alloy as the temperature rising, meanwhile the shrinkage ratio of the Janus Cu-Ag NPs is stable at 80%.

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