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Decay kinetics of cluster-beam-deposited metal particles

: Grönhagen, N.; Järvi, T.T.; Miroslawski, N.; Hövel, H.; Moseler, M.


Journal of physical chemistry. C, Nanomaterials and interfaces 116 (2012), No.36, pp.19327-19334
ISSN: 1932-7447
ISSN: 1932-7455
Deutsche Forschungsgemeinschaft DFG
SPP 1153;
Journal Article
Fraunhofer IWM ()
molecular dynamics simulations; nanoparticles; density functional theory; scanning tunneling microscopy; cluster depostion

High-precision experiments and atomistic simulations are used to determine the flattening kinetics of mass-selected 55-147 atom Ag clusters deposited on Au(111). The clusters are shown to align epitaxially and decay through an exchange pathway with a range of rate-limiting barriers, from ca. 0.25 to 0.4 eV, depending on the shape of the particle. It is also shown that nonlocal effects at the Au-Ag interface lead to a dramatic reduction in the barrier of the dominant transition pathway, requiring ab initio methods for correct modeling. As a result, quantitative correspondence between experimental and simulated island heights is obtained.