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Issue 27, 2019
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Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design

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Abstract

A tetraphenylmethane tripod functionalized with three thiol moieties in the para position can serve as a supporting platform for functional molecular electronic elements. A combined experimental scanning tunneling microscopy break junction technique with theoretical approaches based on density functional theory and non-equilibrium Green's function formalism was used for detailed charge transport analysis to find configurations, geometries and charge transport pathways in the molecular junctions of single molecule oligo-1,4-phenylene conductors containing this tripodal anchoring group. The effect of molecular length (n = 1 to 4 repeating phenylene units) on the charge transport properties and junction configurations is addressed. The number of covalent attachments between the electrode and the tripodal platform changes with n affecting the contact conductance of the junction. The longest homologue n = 4 adopts an upright configuration with all three para thiolate moieties of the tripod attached to the gold electrode. The contact conductance of the tetraphenylmethane tripod substituted by thiols in the para position is higher than that substituted in the meta position. Such molecular arrangement is highly conducting and allows well-defined directional positioning of a variety of functional groups.

Graphical abstract: Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design

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Publication details

The article was received on 13 May 2019, accepted on 13 Jun 2019 and first published on 17 Jun 2019


Article type: Paper
DOI: 10.1039/C9NR04071D
Nanoscale, 2019,11, 12959-12964

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    Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design

    J. Šebera, M. Lindner, J. Gasior, G. Mészáros, O. Fuhr, M. Mayor, M. Valášek, V. Kolivoška and M. Hromadová, Nanoscale, 2019, 11, 12959
    DOI: 10.1039/C9NR04071D

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