Particle Size Effects on Wulff Constructions

نویسنده

  • L. D. MARKS
چکیده

The equilibrium structure of small particles is analysed by minimising the total surface energy of atomistic clusters. Large deviations from the bulk Wulff construction are identified for fairly large ( 10 nm) particles due to sphere packing corrections. These act as additional edge terms which can be si~i~cantly larger than the true edge terms. For a simplifi~ fee model, it is shown that the fraction of (100) surface drops markedly as the particle size drops because of these packing effects. This can lead to very large particle size effects for a face sensitive catalytic reaction. It is also pointed out that these packing corrections link very small ( < 100 atom) cluster to very large particles.

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تاریخ انتشار 2002