Particle size effects on Wulff constructions

L. D. Marks*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

56 Scopus citations

Abstract

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 significantly larger than the true edge terms. For a simplified fcc 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.

Original languageEnglish (US)
Pages (from-to)358-366
Number of pages9
JournalSurface Science
Volume150
Issue number2
DOIs
StatePublished - Feb 2 1985

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry

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