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| Main Authors: | , , , , , , , |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2410.17156 |
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| _version_ | 1866916605456285696 |
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| author | Robles, Roberto Li, Chao Realista, Sara Martinho, Paulo Nuno Gruber, Manuel Weismann, Alexander Lorente, Nicolás Berndt, Richard |
| author_facet | Robles, Roberto Li, Chao Realista, Sara Martinho, Paulo Nuno Gruber, Manuel Weismann, Alexander Lorente, Nicolás Berndt, Richard |
| contents | Scanning tunneling microscope data from a dinuclear Co(II) complex adsorbed on Au(111) are analysed using density functional theory calculations. We find that the interaction with the substrate substantially changes the geometry of the non-planar 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2410_17156 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Interpreting tunneling spectroscopic maps of a dinuclear Co(II) complex on gold Robles, Roberto Li, Chao Realista, Sara Martinho, Paulo Nuno Gruber, Manuel Weismann, Alexander Lorente, Nicolás Berndt, Richard Materials Science Mesoscale and Nanoscale Physics Chemical Physics Scanning tunneling microscope data from a dinuclear Co(II) complex adsorbed on Au(111) are analysed using density functional theory calculations. We find that the interaction with the substrate substantially changes the geometry of the non-planar 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. |
| title | Interpreting tunneling spectroscopic maps of a dinuclear Co(II) complex on gold |
| topic | Materials Science Mesoscale and Nanoscale Physics Chemical Physics |
| url | https://arxiv.org/abs/2410.17156 |