Journal
ACS APPLIED MATERIALS & INTERFACES
Volume 9, Issue 14, Pages 12486-12493Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsami.7b01337
Keywords
metallic nanoparticle; thermal stability; alloy; core-shell structure; molecular dynamics
Funding
- National Natural Science Foundation of China [51271156, 11474234]
- Specialized Research Fund for the Doctoral Program of Higher Education of China [20130121110012]
- Fundamental Research Funds for the Central Universities of China [20720150023]
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Pt-Co bimetallic nanoparticles are promising candidates for Pt-based nanocatalysts and magnetic-storage materials. By using molecular dynamics simulations, we here present a detailed examination on the thermal stabilities of Pt-Co bimetallic nanoparticles with three configurations including chemically disordered alloy, ordered intermetallics, and core-shell structures. It has been revealed that ordered intermetallic nanoparticles possess better structural and thermal stability than disordered alloyed ones for both Pt3Co and PtCo systems, and Pt3Co-Pt core shell nanoparticles exhibit the highest melting points and the best thermal stability among Pt-Co bimetallic nanoparticles, although their meltings all initiate at the surface and evolve inward with increasing temperatures. In contrast, Co-Pt core-shell nanoparticles display the worst thermal stability compared with the aforementioned nanoparticles. Furthermore, their melting initiates in the core and extends outward surface, showing a typical two-stage melting mode. The solid-solid phase transition is discovered in Co core before its melting. This work demonstrates the importance of composition distribution to tuning the properties of binary nanoparticles.
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