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Electronic and Molecular Surface Structure of Ru(tcterpy)(NCS)3 and Ru(dcbpy)2(NCS)2 Adsorbed from Solution onto Nanostructured TiO2: A Photoelectron Spectroscopy Study
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics, Physics I.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics, Physics I.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics, Physics I.
2005 (English)In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 109, no 47, 22256-22263 p.Article in journal (Refereed) Published
Abstract [en]

The element specificity of photoelectron spectroscopy (PES) has been used to compare the electronic and molecular structure of the dyes Ru(tcterpy)(NCS)3 (BD) and Ru(dcbpy)2(NCS)2adsorbed from solution onto nanostructured TiO2. Ru(dcbpy)2(NCS)2 was investigated in its acid (N3) and in its 2-fold deprotonated form (N719) having tetrabutylammonium (TBA+) as counterions. A comparison of the O1s spectra for the dyes indicates that the interactions through the carboxylate groups with the TiO2 surface are very similar for the dyes. However, we observe that some of the dye molecules also interact through the NCS groups when adsorbed at the TiO2 surface. Comparing the N719 and the N3 molecule, the fraction of NCS groups interacting through the sulfur atoms is smaller for N719 than for N3. We also note that the counterion TBA+ is coadsorbed with the N719 and BD molecules although the amount was smaller than expected from the molecular formulas. Comparing the valence levels for the dyes adsorbed on TiO2, the position of the highest occupied electronic energy level is similar for N3 and N719, while that for BD is lower by 0.25 eV relative to that of the other complexes.

Place, publisher, year, edition, pages
2005. Vol. 109, no 47, 22256-22263 p.
National Category
Physical Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-94528DOI: 10.1021/jp0525282OAI: oai:DiVA.org:uu-94528DiVA: diva2:168405
Available from: 2006-05-08 Created: 2006-05-08 Last updated: 2017-12-14Bibliographically approved
In thesis
1. Interfaces in Dye-Sensitized Oxide / Hole-Conductor Heterojunctions for Solar Cell Applications
Open this publication in new window or tab >>Interfaces in Dye-Sensitized Oxide / Hole-Conductor Heterojunctions for Solar Cell Applications
2006 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Nanoporous dye-sensitized solar cells (DSSC) are promising devices for solar to electric energy conversion. In this thesis photoelectron spectroscopy (PES), x-ray absorption spectroscopy (XAS) and photovoltaic measurements are used for studies of the key interfaces in the DSSC.

Photovoltaic properties of new combinations of TiO2/dye/hole-conductor heterojunctions were demonstrated and their interfacial structures were studied. Three different types of hole-conductor materials were investigated: Triarylamine derivatives, a conducting polymer and CuI. The difference in photocurrent and photovoltage properties of the heterojunction due to small changes in the hole-conductor material was followed. Also a series of dye molecules were used to measure the influence of the dye on the photovoltaic properties. Differences in both the energy-level matching and the geometric structure of the interfaces in the different heterojunctions were studied by PES. This combination of photovoltaic and PES measurements shows the possibility to link the interfacial electronic and molecular structure to the functional properties of the device.

Three effective dyes used in the DSSC, Ru(dcbpy)2(NCS)2, Ru(tcterpy)(NCS)3 and an organic dye were studied in detail using PES and XAS and resonant core hole decay spectroscopy. The results gave information of the frontier electronic structure of the dyes and how the dyes are bonded to the TiO2 surface.

Finally, the hole-conductor mechanism in a conducting polymer was investigated theoretically using semi-empirical and ab-initio methods.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2006. 53 p.
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 188
Keyword
Physics, Photoelectron spectroscopy, Solar cells, Heterojunction, Fysik
Identifiers
urn:nbn:se:uu:diva-6892 (URN)91-554-6575-7 (ISBN)
Public defence
2006-05-29, Polhemsalen, Ångströmlaboratoriet, Lägerhyddsv.1, Uppsala, 13:15
Opponent
Supervisors
Available from: 2006-05-08 Created: 2006-05-08 Last updated: 2012-10-09Bibliographically approved

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Rensmo, Håkan

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