Department of Chemistry, Northwestern University, Evanston, Illinois 60201, United States.
Nano Lett. 2011 Aug 10;11(8):3399-403. doi: 10.1021/nl2018146. Epub 2011 Jul 18.
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).
武尔夫构造是理解和预测纳米粒子形状的宝贵工具。我们在这里证明，对于合金来说，这个给出尺寸独立热力学形状的古老模型在纳米尺度范围内变得依赖于尺寸，并且无限储库近似不再成立。结构和能量建模的改进在能量控制的领域（例如成核和生长）以及表面组成重要的领域（例如多相催化）都具有广泛的意义。
