期刊
NANO LETTERS
卷 11, 期 8, 页码 3399-3403出版社
AMER CHEMICAL SOC
DOI: 10.1021/nl2018146
关键词
Alloy nanoparticles; thermodynamic modeling; Wulff construction; surface segregation; nanoparticle shape
类别
资金
- NSF [CHE-0911145]
- NSF MRSEC at the Materials Research Center of Northwestern University [DMR-0520513]
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [0911145] Funding Source: National Science Foundation
The Wulff construction is an invaluable tool to understand and predict the shape of nanoparticles. We demonstrate here that this venerable model, which gives a size-independent thermodynamic shape, becomes size dependent in the nanoscale regime for an alloy and that the infinite reservoir approximation breaks down. The improvements in structure and energetic modeling have wide-ranging implications both in areas where energetics govern (e.g., nucleation and growth) and where the surface composition is important (e.g., heterogeneous catalysis).
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