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Densely packed ZnTPPs monolayer on the rutile TiO2(110)-(1 × 1) surface: adsorption behavior and energy level alignment

AuthorsRangan, Sylvie; Ruggieri, Charles; Bartynski, Robert; Martínez, José I. ; Flores, Fernando; Ortega, José
Issue Date3-Mar-2016
PublisherAmerican Chemical Society
CitationJournal of Physical Chemistry C 120(8): 4430-4437 (2016)
AbstractThe adsorption of a densely packed zinc(II) tetraphenylporphyrin monolayer on a rutile TiO(110)-(1 × 1) surface has been studied using a combination of experimental and theoretical methods, aimed at analyzing the relation between adsorption behavior and barrier height formation. The adsorption configuration of ZnTPP was determined from scanning tunnel microscopy (STM) imaging, density functional theory (DFT) calculations, and STM image simulation. The corresponding energy alignment was experimentally determined from X-ray and UV-photoemission spectroscopies and inverse photoemission spectroscopy. These results were found in good agreement with an appropriately corrected DFT model, pointing to the importance of local bonding and intermolecular interactions in the establishment of barrier heights.
Publisher version (URL)https://doi.org/10.1021/acs.jpcc.5b12736
Identifiersdoi: 10.1021/acs.jpcc.5b12736
e-issn: 1932-7455
issn: 1932-7447
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