Campus Units

Physics and Astronomy, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

6-24-2014

Journal or Book Title

Nano Letters

Volume

14

Issue

8

First Page

4646

Last Page

4652

DOI

10.1021/nl5017128

Abstract

Far-from-equilibrium shape and structure evolution during formation and post-assembly sintering of bimetallic nanoclusters is extremely sensitive to the periphery diffusion and intermixing kinetics. Precise characterization of the many distinct local-environment-dependent diffusion barriers is achieved for epitaxial nanoclusters using density functional theory to assess interaction energies both with atoms at adsorption sites and at transition states. Kinetic Monte Carlo simulation incorporating these barriers then captures structure evolution on the appropriate time scale for two-dimensional core-ring and intermixed Au–Ag nanoclusters on Ag(100).

Comments

Reprinted (adapted) with permission from Nano Letters 14 (2014): 4646, doi:10.1021/nl5017128. Copyright 2014 American Chemical Society.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

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