Original title: Comprehensive Single Molecule Conductance Studies of the Anthracene- Anthraquinone Redox-Active Molecular Switch
Authors: Hromadová, Magdaléna ; Vavrek, František ; Šebera, Jakub ; Fiedler, Jan ; Gasior, Jindřich ; Mészáros, G. ; Valášek, M.
Document type: Papers
Conference/Event: Modern Electrochemical Methods /44./, Jetřichovice (CZ), 20250519
Year: 2025
Language: eng
Abstract: Conductance properties of the anthracene-anthraquinone ON-OFF redox switch have been studied by STM break junction methodology and quantum chemical computations using DFT and non-\nequilibrium Green’s function formalism. Molecular junctions of both anthraquinone-based (A) and anthracene-based (B) molecules displayed two stable configurations, where the lowest conductance\nGL corresponds to the fully extended molecule in the junction. The molecular junction conductance for molecule A was found to be 31 pS and 976 pS for molecule B, respectively. This corresponds\nto the conductance ON-OFF ratio equal to GL(B)/GL(A) = 30.
Keywords: anthracene-9,10-diol; molecular electronics; molecular switches
Project no.: EH22_008/0004558
Funding provider: GA MŠk
Host item entry: Proceedings of the International Conference 44th Modern Electrochemical Methods, ISBN 978-80-908947-2-3

Institution: J. Heyrovsky Institute of Physical Chemistry AS ČR (web)
Document availability information: Fulltext is available on demand via the digital repository of the Academy of Sciences.
Original record: https://hdl.handle.net/11104/0366912

Permalink: http://www.nusl.cz/ntk/nusl-679994


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Research > Institutes ASCR > J. Heyrovsky Institute of Physical Chemistry
Conference materials > Papers