Interpreting tunneling spectroscopic maps of a dinuclear Co(II) complex on gold
Scanning tunneling microscope data from a dinuclear Co(II) complex adsorbed on Au(111) are analyzed using density functional theory calculations. We find that the interaction with the substrate substantially changes the geometry of the nonplanar molecule. Its electronic states, however, remain fairly similar to those calculated for a gas-phase molecule. The calculations reproduce intriguing contrasts observed in experimental maps of the differential conductance $dI/dV$ and reveal the relative importance of geometric and electronic factors that impinge on the image contrasts. For a meaningful comparison, it is important that the calculations closely mimic the experimental mode of measurement.
Authors
- Manuel Gruber (ORCID: https://orcid.org/0000-0002-8353-4651)
- Sara Realista (ORCID: https://orcid.org/0000-0003-1066-1200)
- Alexander Weismann (ORCID: https://orcid.org/0000-0003-2487-3917)
- Richard L. Berndt (ORCID: https://orcid.org/0000-0003-1165-9065)
- Paulo N. Martinho (ORCID: https://orcid.org/0000-0003-2552-6263)
- Nicolás Lorente (ORCID: https://orcid.org/0000-0003-0952-8031)
- Chao Li (ORCID: https://orcid.org/0000-0003-2125-9989)
- Roberto Robles (ORCID: https://orcid.org/0000-0001-7808-0395)
Institutions
- University of Lisbon (PT)
- Christian-Albrechts-Universität zu Kiel (DE)
- Donostia International Physics Center (ES)
- University of Duisburg-Essen (DE)
Publication Details
- Journal
- Physical review. B./Physical review. B
- Published
- 2025-02-10
- DOI
- https://doi.org/10.1103/physrevb.111.085409
- Citations
- 1
- Primary Topic
- Molecular Junctions and Nanostructures
- Type
- article
- Field-Weighted Citation Impact
- 0.73
Funders
- Alexander von Humboldt-Stiftung
- Deutsche Forschungsgemeinschaft
- Eusko Jaurlaritza
- Agencia Estatal de Investigación