Queck, Fabian and Albrecht, Florian and Mutombo, Pingo and Krejci, Ondrej and Jelinek, Pavel and McLean, Alastair and Repp, Jascha (2019) Interface dipoles of Ir(ppy)(3) on Cu(111). NANOSCALE, 11 (26). pp. 12695-12703. ISSN 2040-3364, 2040-3372
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The interplay of adsorption geometry and interface dipoles of the transition-metal complex Ir(ppy)(3) on Cu(111) was studied using low-temperature scanning probe microscopy and density-functional-theory calculations. We find that the orientation of the molecule's intrinsic dipole moment with respect to the surface has a strong influence on the total energy of the different configurations, where the most stable one has the molecular dipole moment pointing out of the surface plane along the surface normal. Adsorption-induced redistribution of charges results in an additional dipole moment that also points out of the surface plane for all configurations. Submolecularly resolved maps of the resulting local contact potential difference suggest that any in-plane dipole moment is very effectively screened.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | CYCLOMETALATED IR(III) COMPLEXES; ATOMIC-FORCE MICROSCOPY; ELECTRONIC-STRUCTURE; DEVICES; STATE; MOLECULES; SURFACES; IRIDIUM(III); ORIENTATION; RESOLUTION; |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Experimental and Applied Physics > Chair Professor Giessibl > Group Jascha Repp |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 07 Apr 2020 08:28 |
| Last Modified: | 07 Apr 2020 08:28 |
| URI: | https://pred.uni-regensburg.de/id/eprint/26633 |
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