Publikation:

On the reliability of acquiring molecular junction parameters by Lorentzian fitting of I/V curves

Lade...
Vorschaubild

Dateien

Zu diesem Dokument gibt es keine Dateien.

Datum

2020

Autor:innen

Delmas, Vincent
Diez-Cabanes, Valentin
van Dyck, Colin
Costuas, Karine
Cornil, Jérôme

Herausgeber:innen

Kontakt

ISSN der Zeitschrift

Electronic ISSN

ISBN

Bibliografische Daten

Verlag

Schriftenreihe

Auflagebezeichnung

URI (zitierfähiger Link)
DOI (zitierfähiger Link)
ArXiv-ID

Internationale Patentnummer

Angaben zur Forschungsförderung

Projekt

Open Access-Veröffentlichung
Core Facility der Universität Konstanz

Gesperrt bis

Titel in einer weiteren Sprache

Publikationstyp
Zeitschriftenartikel
Publikationsstatus
Published

Erschienen in

Physical Chemistry Chemical Physics. Royal Society of Chemistry. 2020, 22(46), pp. 26702-26706. ISSN 1463-9076. eISSN 1463-9084. Available under: doi: 10.1039/D0CP05372D

Zusammenfassung

Fitting the I/V curves of molecular junctions by simple analytical models is often done to extract relevant molecular parameters such as energy level alignment or interfacial electronic coupling to build up useful property-relationships. However, such models can suffer from severe limitations and hence provide unreliable molecular parameters. This is illustrated here by extracting key molecular parameters by fitting computed voltage-dependent transmission spectra and by comparing them to the values obtained by fitting the calculated I/V curves with a typical Lorentzian model used in the literature. Doing so, we observe a large discrepancy between the two sets of values which warns us about the risks of using simple fitting expressions. Interestingly, we demonstrate that the quality of the fit can be improved by imposing the low bias conductance and Seebeck coefficient of the junction to be recovered in the fitting procedure.

Zusammenfassung in einer weiteren Sprache

Fachgebiet (DDC)
530 Physik

Schlagwörter

Konferenz

Rezension
undefined / . - undefined, undefined

Forschungsvorhaben

Organisationseinheiten

Zeitschriftenheft

Zugehörige Datensätze in KOPS

Zitieren

ISO 690DELMAS, Vincent, Valentin DIEZ-CABANES, Colin VAN DYCK, Elke SCHEER, Karine COSTUAS, Jérôme CORNIL, 2020. On the reliability of acquiring molecular junction parameters by Lorentzian fitting of I/V curves. In: Physical Chemistry Chemical Physics. Royal Society of Chemistry. 2020, 22(46), pp. 26702-26706. ISSN 1463-9076. eISSN 1463-9084. Available under: doi: 10.1039/D0CP05372D
BibTex
@article{Delmas2020relia-52311,
  year={2020},
  doi={10.1039/D0CP05372D},
  title={On the reliability of acquiring molecular junction parameters by Lorentzian fitting of I/V curves},
  number={46},
  volume={22},
  issn={1463-9076},
  journal={Physical Chemistry Chemical Physics},
  pages={26702--26706},
  author={Delmas, Vincent and Diez-Cabanes, Valentin and van Dyck, Colin and Scheer, Elke and Costuas, Karine and Cornil, Jérôme}
}
RDF
<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/123456789/52311">
    <dc:creator>Scheer, Elke</dc:creator>
    <dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/41"/>
    <foaf:homepage rdf:resource="http://localhost:8080/"/>
    <dc:creator>Delmas, Vincent</dc:creator>
    <dcterms:issued>2020</dcterms:issued>
    <dc:creator>Cornil, Jérôme</dc:creator>
    <dc:contributor>Scheer, Elke</dc:contributor>
    <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/>
    <bibo:uri rdf:resource="https://kops.uni-konstanz.de/handle/123456789/52311"/>
    <dc:contributor>Cornil, Jérôme</dc:contributor>
    <dc:creator>van Dyck, Colin</dc:creator>
    <dc:contributor>Costuas, Karine</dc:contributor>
    <dc:contributor>Diez-Cabanes, Valentin</dc:contributor>
    <dcterms:abstract xml:lang="eng">Fitting the I/V curves of molecular junctions by simple analytical models is often done to extract relevant molecular parameters such as energy level alignment or interfacial electronic coupling to build up useful property-relationships. However, such models can suffer from severe limitations and hence provide unreliable molecular parameters. This is illustrated here by extracting key molecular parameters by fitting computed voltage-dependent transmission spectra and by comparing them to the values obtained by fitting the calculated I/V curves with a typical Lorentzian model used in the literature. Doing so, we observe a large discrepancy between the two sets of values which warns us about the risks of using simple fitting expressions. Interestingly, we demonstrate that the quality of the fit can be improved by imposing the low bias conductance and Seebeck coefficient of the junction to be recovered in the fitting procedure.</dcterms:abstract>
    <dc:language>eng</dc:language>
    <dc:creator>Diez-Cabanes, Valentin</dc:creator>
    <dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/41"/>
    <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2021-01-07T13:50:00Z</dc:date>
    <dcterms:title>On the reliability of acquiring molecular junction parameters by Lorentzian fitting of I/V curves</dcterms:title>
    <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2021-01-07T13:50:00Z</dcterms:available>
    <dc:contributor>Delmas, Vincent</dc:contributor>
    <dc:creator>Costuas, Karine</dc:creator>
    <dc:contributor>van Dyck, Colin</dc:contributor>
  </rdf:Description>
</rdf:RDF>

Interner Vermerk

xmlui.Submission.submit.DescribeStep.inputForms.label.kops_note_fromSubmitter

Kontakt
URL der Originalveröffentl.

Prüfdatum der URL

Prüfungsdatum der Dissertation

Finanzierungsart

Kommentar zur Publikation

Allianzlizenz
Corresponding Authors der Uni Konstanz vorhanden
Internationale Co-Autor:innen
Universitätsbibliographie
Ja
Begutachtet
Ja
Diese Publikation teilen