Interpreting tunneling spectroscopic maps of a dinuclear Co(II) complex on gold

Year: 2025

Type: article

Abstract: 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.

Source: Physical review. B./Physical review. B

DOI: 10.1103/physrevb.111.085409

Authors: Roberto Robles, Chao Li, Sara Realista, Paulo N. Martinho, Manuel Gruber, Alexander Weismann, Nicolás Lorente, Richard Berndt

Institutions: Consejo Superior de Investigaciones Científicas, Christian-Albrechts-Universität zu Kiel, University of Lisbon, University of Duisburg-Essen, Donostia International Physics Center

Language: English

Topic: Molecular Junctions and Nanostructures

Subfield: Electrical and Electronic Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: green

Funders: Alexander von Humboldt-Stiftung, Deutsche Forschungsgemeinschaft, Eusko Jaurlaritza, Centro de Química Estrutural, Fundação para a Ciência e a Tecnologia, Agencia Estatal de Investigación

OpenAlex ID: W4407321031