@article{Lokamani2021-07-19Descr-54670,
  year={2021},
  doi={10.1038/s41598-021-93724-5},
  title={Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au(111) using high-throughput simulations},
  number={1},
  volume={11},
  journal={Scientific Reports},
  author={Lokamani, Mani and Kelling, Jeffrey and Ohmann, Robin and Meyer, Jörg and Kühne, Tim and Cuniberti, Gianaurelio and Wolf, Jannic and Juckeland, Guido and Huhn, Thomas and Zahn, Peter},
  note={Article Number: 14649}
}

<rdf:RDF
    xmlns:dcterms="http://purl.org/dc/terms/"
    xmlns:dc="http://purl.org/dc/elements/1.1/"
    xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
    xmlns:bibo="http://purl.org/ontology/bibo/"
    xmlns:dspace="http://digital-repositories.org/ontologies/dspace/0.1.0#"
    xmlns:foaf="http://xmlns.com/foaf/0.1/"
    xmlns:void="http://rdfs.org/ns/void#"
    xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > 
  <rdf:Description rdf:about="https://kops.uni-konstanz.de/server/rdf/resource/123456789/54670">
    <dc:creator>Juckeland, Guido</dc:creator>
    <dc:creator>Lokamani, Mani</dc:creator>
    <dc:contributor>Zahn, Peter</dc:contributor>
    <dc:creator>Ohmann, Robin</dc:creator>
    <dspace:hasBitstream rdf:resource="https://kops.uni-konstanz.de/bitstream/123456789/54670/1/Lokamani_2-nreyxpyz06zn9.pdf"/>
    <dc:creator>Meyer, Jörg</dc:creator>
    <dc:creator>Wolf, Jannic</dc:creator>
    <foaf:homepage rdf:resource="http://localhost:8080/"/>
    <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2021-08-20T12:34:30Z</dc:date>
    <dc:creator>Huhn, Thomas</dc:creator>
    <dc:contributor>Meyer, Jörg</dc:contributor>
    <dcterms:abstract xml:lang="eng">Due to the low corrugation of the Au(111) surface, 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene (PEEB) molecules can form quasi interlocked lateral patterns, which are observed in scanning tunneling microscopy experiments at low temperatures. We demonstrate a multi-dimensional clustering approach to quantify the anisotropic pair-wise interaction of molecules and explain these patterns. We perform high-throughput calculations to evaluate an energy function, which incorporates the adsorption energy of single PEEB molecules on the metal surface and the intermolecular interaction energy of a pair of PEEB molecules. The analysis of the energy function reveals, that, depending on coverage density, specific types of pattern are preferred which can potentially be exploited to form one-dimensional molecular wires on Au(111).</dcterms:abstract>
    <dc:contributor>Kühne, Tim</dc:contributor>
    <dc:creator>Kelling, Jeffrey</dc:creator>
    <dc:contributor>Juckeland, Guido</dc:contributor>
    <dc:creator>Zahn, Peter</dc:creator>
    <dc:contributor>Huhn, Thomas</dc:contributor>
    <dc:contributor>Wolf, Jannic</dc:contributor>
    <dc:contributor>Kelling, Jeffrey</dc:contributor>
    <dc:rights>Attribution 4.0 International</dc:rights>
    <dcterms:issued>2021-07-19</dcterms:issued>
    <dc:contributor>Ohmann, Robin</dc:contributor>
    <dcterms:rights rdf:resource="http://creativecommons.org/licenses/by/4.0/"/>
    <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2021-08-20T12:34:30Z</dcterms:available>
    <dc:contributor>Lokamani, Mani</dc:contributor>
    <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/>
    <dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/29"/>
    <dc:language>eng</dc:language>
    <dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/29"/>
    <dc:creator>Kühne, Tim</dc:creator>
    <dcterms:title>Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au(111) using high-throughput simulations</dcterms:title>
    <bibo:uri rdf:resource="https://kops.uni-konstanz.de/handle/123456789/54670"/>
    <dc:contributor>Cuniberti, Gianaurelio</dc:contributor>
    <dcterms:hasPart rdf:resource="https://kops.uni-konstanz.de/bitstream/123456789/54670/1/Lokamani_2-nreyxpyz06zn9.pdf"/>
    <dc:creator>Cuniberti, Gianaurelio</dc:creator>
  </rdf:Description>
</rdf:RDF>