Low variability of single-molecule conductance assisted by bulky metal–molecule contacts
Ferradas, Ruben R. ; Marques-Gonzalez, Santiago ; Osorio, Henrry M. ; Ferrer, Jaime ; Cea, Pilar (Universidad de Zaragoza) ; Milan, David C. ; Vezzoli, Andrea ; Higgins, Simon J. ; Nichols, Richard J. ; Low, Paul J. ; Garcia-Suarez, Victor M. ; Martin, Santiago (Universidad de Zaragoza)
Resumen: A detailed study of the trimethylsilylethynyl moiety, –C[triple bond, length as m-dash]CSiMe3 (TMSE), as an anchoring group in metal|molecule|metal junctions, using a combination of experiment and density functional theory is presented. It is shown that the TMSE anchoring group provides improved control over the molecule–substrate arrangement within metal|molecule|metal junctions, with the steric bulk of the methyl groups limiting the number of highly transmissive binding sites at the electrode surface, resulting in a single sharp peak in the conductance histograms recorded by both the in situ break junction and I(s) STM techniques. As a consequence of the low accessibility of the TMSE group to surface binding configurations of measurable conductance, only about 10% of gold break junction formation cycles result in the clear formation of molecular junctions in the experimental histograms. The DFT-computed transmission characteristics of junctions formed from the TMSE-contacted oligo(phenylene)ethynylene (OPE)-based molecules described here are dominated by tunneling effects through the highest-occupied molecular orbitals (HOMOs). This gives rise to similar conductance characteristics in these TMSE-contacted systems as found in low conductance-type junctions based on comparably structured OPE-derivatives with amine-contacts that also conduct through HOMO-based channels.
Idioma: Inglés
DOI: 10.1039/c6ra15477h
Año: 2016
Publicado en: RSC Advances 6, 79 (2016), 75111-75121
ISSN: 2046-2069
Factor impacto JCR: 3.108 (2016)
Categ. JCR: CHEMISTRY, MULTIDISCIPLINARY rank: 59 / 166 = 0.355 (2016) - Q2 - T2
Factor impacto SCIMAGO: 0.889 - Chemistry (miscellaneous) (Q1) - Chemical Engineering (miscellaneous) (Q1)
Financiación: info:eu-repo/grantAgreement/ES/DGA/E54
Financiación: info:eu-repo/grantAgreement/ES/MINECO/CTQ2012-33198
Financiación: info:eu-repo/grantAgreement/ES/MINECO/CTQ2012-50187-EXP
Financiación: info:eu-repo/grantAgreement/ES/MINECO/FIS2012-34858
Financiación: info:eu-repo/grantAgreement/ES/MINECO/RYC-2010-06053
Tipo y forma: Article (Published version)
Área (Departamento): Área Química Física (Dpto. Química Física)
You must give appropriate credit, provide a link to the license, and indicate if changes were made. You may do so in any reasonable manner, but not in any way that suggests the licensor endorses you or your use. You may not use the material for commercial purposes.
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Idioma: Inglés
DOI: 10.1039/c6ra15477h
Año: 2016
Publicado en: RSC Advances 6, 79 (2016), 75111-75121
ISSN: 2046-2069
Factor impacto JCR: 3.108 (2016)
Categ. JCR: CHEMISTRY, MULTIDISCIPLINARY rank: 59 / 166 = 0.355 (2016) - Q2 - T2
Factor impacto SCIMAGO: 0.889 - Chemistry (miscellaneous) (Q1) - Chemical Engineering (miscellaneous) (Q1)
Financiación: info:eu-repo/grantAgreement/ES/DGA/E54
Financiación: info:eu-repo/grantAgreement/ES/MINECO/CTQ2012-33198
Financiación: info:eu-repo/grantAgreement/ES/MINECO/CTQ2012-50187-EXP
Financiación: info:eu-repo/grantAgreement/ES/MINECO/FIS2012-34858
Financiación: info:eu-repo/grantAgreement/ES/MINECO/RYC-2010-06053
Tipo y forma: Article (Published version)
Área (Departamento): Área Química Física (Dpto. Química Física)
You must give appropriate credit, provide a link to the license, and indicate if changes were made. You may do so in any reasonable manner, but not in any way that suggests the licensor endorses you or your use. You may not use the material for commercial purposes. Exportado de SIDERAL (2020-02-21-13:32:05)
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Record created 2017-04-19, last modified 2020-02-21