Cluster structures influenced by interaction with a surface

Literature Information

Publication Date 2018-05-23
DOI 10.1039/C8CP02694G
Impact Factor 3.676
Authors

Christopher Witt, Johannes M. Dieterich, Bernd Hartke


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Abstract

Clusters on surfaces are vitally important for nanotechnological applications. Clearly, cluster–surface interactions heavily influence the preferred cluster structures, compared to clusters in vacuum. Nevertheless, systematic explorations and an in-depth understanding of these interactions and how they determine the cluster structures are still lacking. Here we present an extension of our well-established non-deterministic global optimization package OGOLEM from isolated clusters to clusters on surfaces. Applying this approach to intentionally simple Lennard-Jones test systems, we produce a first systematic exploration that relates changes in cluster–surface interactions to resulting changes in adsorbed cluster structures.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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