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Mapping the frontier electronic structures of triphenylamine based organic dyes at TiO2 interfaces
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry, Structural Chemistry.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Physical and Analytical Chemistry, Physical Chemistry.
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2011 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 13, no 8, 3534-3546 p.Article in journal (Refereed) Published
Abstract [en]

The frontier electronic structure of a series of organic dye molecules containing a triphenylamine moiety, a thiophene moiety and a cyanoacrylic acid moiety have been investigated by photoelectron spectroscopy (PES), X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy (XES) and resonant photoelectron spectroscopy (RPES). The experimental results were compared to electronic structure calculations on the molecules which are used to confirm and enrich the assignment of the spectra. The approach allows us to experimentally measure and interpret the basic valence energy level structure in the dye, including the highest occupied energy level and how it depends on the interaction between the different units. Based on N1s X-ray absorption and emission spectra we also obtain insight into the structure of the excited states, the molecular orbital composition and dynamics. Together the results provide an experimentally determined energy level map useful in the design of these types of materials. Included is also results indicating femtosecond charge redistribution at the dye/TiO2 interface.

Place, publisher, year, edition, pages
2011. Vol. 13, no 8, 3534-3546 p.
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Chemical Sciences
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URN: urn:nbn:se:uu:diva-128840DOI: 10.1039/c0cp01491eISI: 000287041700060PubMedID: 21173950OAI: oai:DiVA.org:uu-128840DiVA: diva2:331813
Available from: 2010-07-26 Created: 2010-07-26 Last updated: 2016-04-20Bibliographically approved

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Rensmo, Håkan

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