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Mapping the frontier electronic structures of triphenylamine based organic dyes at TiO2 Interafaces
Stockholm University, Faculty of Science, Department of Physics.
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2011 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 13, 3534--3546 p.Article in journal (Refereed) Published
Abstract [en]

The frontier electronic structures 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 N 1s 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 are also results indicating femtosecond charge redistribution at the dye/TiO2 interface.

Place, publisher, year, edition, pages
2011. Vol. 13, 3534--3546 p.
National Category
Atom and Molecular Physics and Optics
Research subject
Quantum Chemistry
URN: urn:nbn:se:su:diva-47123DOI: 10.1039/c0cp01491eISI: 000287041700060OAI: diva2:373043
Swedish Research Council, 621-2009-3604
Available from: 2010-11-29 Created: 2010-11-29 Last updated: 2012-01-24Bibliographically approved

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Odelius, MichaelJohansson, Erik M. J.
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