Environmental Control of Single-Molecule Junction Evolution and Conductance: A Case Study of Expanded Pyridinium Wiring

0541298 - ÚFCH JH 2022 RIV DE eng J - Journal Article
Nováková Lachmanová, Štěpánka - Kolivoška, Viliam - Šebera, Jakub - Gasior, Jindřich - Mészáros, G. - Dupeyre, G. - Lainé, P. P. - Hromadová, Magdaléna
Environmental Control of Single-Molecule Junction Evolution and Conductance: A Case Study of Expanded Pyridinium Wiring.
Angewandte Chemie - International Edition. Roč. 60, č. 9 (2021), s. 4732-4739. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA ČR(CZ) GA18-04682S
Institutional support: RVO:61388955
Keywords : charge-transport * extended viologen * transmission * conformation * adsorption * solvents * expanded pyridiniums * molecular electronics * scanning tunneling microscopy * single-molecule conductance * solvent gating
OECD category: Physical chemistry
Impact factor: 16.823, year: 2021
Method of publishing: Open access

Environmental control of single-molecule junction evolution and conductance was demonstrated for expanded pyridinium molecules by scanning tunneling microscopy break junction method and interpreted by quantum transport calculations including solvent molecules explicitly. Fully extended and highly conducting molecular junctions prevail in water environment as opposed to short and less conducting junctions formed in non-solvating mesitylene. A theoretical approach correctly models single-molecule conductance values considering the experimental junction length. Most pronounced difference in the molecular junction formation and conductance was identified for a molecule with the highest stabilization energy on the gold substrate confirming the importance of molecule-electrode interactions. Presented concept of tuning conductance through molecule-electrode interactions in the solvent-driven junctions can be used in the development of new molecular electronic devices.
Permanent Link: http://hdl.handle.net/11104/0318879