Premium
Environmental Control of Single‐Molecule Junction Evolution and Conductance: A Case Study of Expanded Pyridinium Wiring
Author(s) -
Nováková Lachmanová Štěpánka,
Kolivoška Viliam,
Šebera Jakub,
Gasior Jindřich,
Mészáros Gábor,
Dupeyre Grégory,
Lainé Philippe P.,
Hromadová Magdaléna
Publication year - 2021
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.202013882
Subject(s) - conductance , break junction , molecule , scanning tunneling microscope , chemical physics , mesitylene , electrode , quantum tunnelling , substrate (aquarium) , pyridinium , chemistry , nanotechnology , materials science , optoelectronics , condensed matter physics , physics , organic chemistry , geology , benzene , oceanography
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.