Energy offsets within a molecular monolayer: the influence of the molecular environment
- The compressed 3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA) herringbone monolayer structure on Ag(110) is used as a model system to investigate the role of molecule–molecule interactions at metal–organic interfaces. By means of the orbital tomography technique, we can not only distinguish the two inequivalent molecules in the unit cell but also resolve their different energy positions for the highest occupied and the lowest unoccupied molecular orbitals. Density functional theory calculations of a freestanding PTCDA layer identify the electrostatic interaction between neighboring molecules, rather than the adsorption site, as the main reason for the molecular level splitting observed experimentally.
| Author: | M. Willenbockel, Benjamin StadtmüllerGND, K. Schönauer, F. C. Bocquet, D. Lüftner, E. M. Reinisch, T. Ules, G. Koller, C. Kumpf, S. Soubatch, P. Puschnig, M. G. Ramsey, F. S. Tautz |
|---|---|
| URN: | urn:nbn:de:bvb:384-opus4-1129382 |
| Frontdoor URL | https://opus.bibliothek.uni-augsburg.de/opus4/112938 |
| ISSN: | 1367-2630OPAC |
| Parent Title (English): | New Journal of Physics |
| Publisher: | IOP Publishing |
| Type: | Article |
| Language: | English |
| Year of first Publication: | 2013 |
| Publishing Institution: | Universität Augsburg |
| Release Date: | 2024/05/14 |
| Volume: | 15 |
| Issue: | 3 |
| First Page: | 033017 |
| DOI: | https://doi.org/10.1088/1367-2630/15/3/033017 |
| Institutes: | Mathematisch-Naturwissenschaftlich-Technische Fakultät |
| Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik | |
| Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik / Lehrstuhl für Experimentalphysik II | |
| Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
| Licence (German): |  CC-BY 3.0: Creative Commons - Namensnennung |
