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

0505955 - ÚFCH JH 2020 RIV GB eng J - Článek v odborném periodiku
Šebera, Jakub - Lindner, M. - Gasior, Jindřich - Meszáros, G. - Fuhr, O. - Mayor, M. - Valášek, M. - Kolivoška, Viliam - Hromadová, Magdaléna
Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design.
Nanoscale. Roč. 11, č. 27 (2019), s. 12959-12964. ISSN 2040-3364. E-ISSN 2040-3372
Grant CEP: GA ČR(CZ) GA18-14990S
Grant ostatní: AV ČR(CZ) MTA-16-02
Program: Bilaterální spolupráce
Institucionální podpora: RVO:61388955
Klíčová slova: SELF-ASSEMBLED MONOLAYER * CHARGE-TRANSPORT * GROUP POSITION
Obor OECD: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)
Impakt faktor: 6.895, rok: 2019
Způsob publikování: Omezený přístup

Tetraphenylmethane tripod functionalized with three thiol moieties in 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 were used for detailed charge transport analysis to find configurations, geometries and charge transport pathways in 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. Contact conductance of the tetraphenylmethane tripod substituted by thiols in para position is higher than of that substituted in meta position. Such molecular arrangement is highly conducting and allows well-defined directional positioning of a variety of functional groups.


Trvalý link: http://hdl.handle.net/11104/0297276