Size- and shape-dependent energetics of nanocrystal interfaces: Experiment and simulation

J. K. Bording, B. Q. Li, Y. F. Shi, J. M. Zuo

Research output: Contribution to journalArticlepeer-review

Abstract

An experimental and simulation study of size- and shape-dependent energetics of nanocrystal interfaces was presented. The interface energetics of Ag nanocrystals on a H-passivated Si(111) surface was studied by transmission electron microscopy and molecular dynamics simulations. It was observed that the equilibrium orientation, or interface energy minimum, depends on the interface size and shape, and for interfaces approaching a coincidence site lattices (CSL) cell in size, fluctuations of a single atom at an interface can lead to large variations in nanocrystal orientations.

Original languageEnglish (US)
Article number226104
Pages (from-to)2261041-2261044
Number of pages4
JournalPhysical review letters
Volume90
Issue number22
DOIs
StatePublished - May 22 2003

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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