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Issue 23, 2018
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Cluster structures influenced by interaction with a surface

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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.

Graphical abstract: Cluster structures influenced by interaction with a surface

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Publication details

The article was received on 27 Apr 2018, accepted on 23 May 2018 and first published on 23 May 2018


Article type: Paper
DOI: 10.1039/C8CP02694G
Citation: Phys. Chem. Chem. Phys., 2018,20, 15661-15670
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    Cluster structures influenced by interaction with a surface

    C. Witt, J. M. Dieterich and B. Hartke, Phys. Chem. Chem. Phys., 2018, 20, 15661
    DOI: 10.1039/C8CP02694G

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