Abstract：
:The phase diagrams of continuous binary nanoalloys are important in providing guidance for material designs and industrial applications. However, experimental determination of the nano-phase diagram is scarce since calorimetric measurements remain quite challenging at the nanoscale. Based on the size-dependent cohesive energy model, we developed a unified nano-thermodynamic model to investigate the effects of the size, shape, and segregation on the phase diagrams of continuous binary nanoalloys. The liquidus/solidus dropped in temperature, two-phase zone was narrowed, and the degree of surface segregation decreased with decrease in the size or increase in the shape factor. The congruent melting point of Cu-Au nanoalloys with and without segregation is linearly shifted to higher Au component and lower temperature with decreasing size or increasing shape factor. By reviewing surface segregated element of different binary nanoalloys, two segregation rules based on the solid surface energy and atomic size have been identified. Moreover, the established model can be employed to describe other physicochemical properties of nanoalloys, e.g. the cohesive energy, catalytic activation energy, and order-disorder transition temperature, and the validity is supported by available other theoretical prediction, experimental data and molecular dynamic simulations results. This will help the experimentalists by guiding them in their attempts to design bimetallic nanocrystals with the desired properties.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Cui M,Lu H,Jiang H,Cao Z,Meng Xdoi
10.1038/srep41990subject
Has Abstractpub_date
2017-02-07 00:00:00pages
41990issn
2045-2322pii
srep41990journal_volume
7pub_type
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