| 1. |
- Hahlin, Maria, et al.
(författare)
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Electronic and molecular structures of organic dye/TiO2 interfaces for solar cell applications : a core level photoelectron spectroscopy study
- 2010
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Ingår i: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 12:7, s. 1507-1517
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Tidskriftsartikel (refereegranskat)abstract
- The electronic and molecular properties of three organic dye molecules with the general structure donor-linker-anchor have been investigated using core level photoelectron spectroscopy (PES). The molecules contain a diphenylaniline donor unit, a thiophene linker unit, and cyanoacrylic acid or rhodanine-3-acetic acid anchor units. They have been investigated both in the form of a multilayer and adsorbed onto nanoporous TiO2 and the experimental results were also compared with DFT calculations. The changes at the dye-sensitized TiO2 surface due to the modification of either the donor unit or the anchor unit was investigated and the results showed important differences in coverage as well as in electronic and molecular surface properties. By measuring the core level binding energies, the sub-molecular properties were characterized and the result showed that the adsorption to the TiO2 influences the energy levels of the sub-molecular units differently.
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| 2. |
- Johansson, E. M. J., et al.
(författare)
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Comparing Surface Binding of the Maleic Anhydride Anchor Group on Single Crystalline Anatase TiO2 (101), (100), and (001) Surfaces
- 2010
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Ingår i: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 114:35, s. 15015-15020
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Tidskriftsartikel (refereegranskat)abstract
- We report on the surface binding of the maleic anhydride (C4H2O3, MA) on the TiO2 anatase (101), (100), and (001) single crystal surfaces. The MA anchor group has recently been used for dye adsorption in solar cells based on nanostructured anatase, and the results reported here are partly discussed with respect to such systems. MA was deposited simultaneously onto the (101), (100), and (001) TiO2 single crystal surfaces in UHV, and the surface binding was investigated with electron spectroscopy. The O1s and C1s core-level spectra were compared to a multilayer of MA to investigate the differences in bonding to the anatase surfaces. The results suggest a surface chemistry where the molecule reacts and the MA ring opens when adsorbed at the (101) and (100) surfaces. The molecule anchors via four oxygen atoms, similar to bonding with two carboxylic groups on TiO2. For the (001) surface, the spectra indicated a different adsorption geometry. A small amount of electronic states in the bandgap of the TiO2 surfaces was observed both before and after MA was deposited onto the surfaces, and on the (101) and (100) surfaces, the intensity of these surface states was slightly enhanced after deposition of MA.
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| 3. |
- Johansson, Erik M. J., et al.
(författare)
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Spin-Orbit Coupling and Metal-Ligand Interactions in Fe(II), Ru(II), and Os(II) Complexes
- 2010
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Ingår i: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 114:22, s. 10314-10322
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Tidskriftsartikel (refereegranskat)abstract
- The purpose of the present paper is to experimentally map the energy levels governing the trends observed in oxidation potentials and absorption spectra of M(bpy)32+ complexes (bpy = 2,2′-bipyridine, M = Fe(II), Ru(II), and Os(II)). Molecular films of the transition metal complexes were investigated with element specific methods using photoelectron spectroscopy (PES) at high kinetic energy using hard X-rays and by X-ray absorption spectroscopy (XAS). The results were compared to electronic structure calculations on the complexes and the ligand. The approach allows us to experimentally measure and interpret the energy levels in terms of spin−orbit coupling and metal−ligand interactions. Specifically, it was verified that the anomaly in the trend in oxidation potentials could be explained by a large spin−orbit coupling for the Os(bpy)32+. The influence of the different metal ions on the state formed upon light absorption was also investigated by N 1s X-ray absorption, and from the spectra we could determine the relative position of the levels originating from d−σ and π contributions. The results for the occupied and unoccupied electronic levels explain the lower energy of the MLCT transition of the Os(bpy)32+ in comparison to the Ru(bpy)32+.
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| 4. |
- Marinado, Tannia, et al.
(författare)
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Surface Molecular Quantification and Photoelectrochemical Characterization of Mixed Organic Dye and Coadsorbent Layers on TiO2 for Dye-Sensitized Solar Cells
- 2010
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Ingår i: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 114:27, s. 11903-11910
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Tidskriftsartikel (refereegranskat)abstract
- Different molecular layers on TiO2 were prepared by using the p-dimethylaniline triphenylamine based organic dye, D29, together with the coadsorbents decylphosphonic acid (DPA), dineohexyl bis(3,3-dimethylbutyl)phosphinic acid (DINHOP), and chenodeoxycholic acid (CDCA). The surface molecular structure of dye and coadsorbent layers on TiO2 was investigated by photoelectron spectroscopy (PES). A focus was to determine the surface molecular concentrations using characteristic photoelectron core levels. Dye-sensitized solar cells (DSCs) were prepared from the same substrate and were further characterized by photoelectrochemical methods. Together the investigation gives information on the arrangement of the mixed molecular layer and a first insight to the extent to which the coadsorbents exchange with dye molecules on the TiO2 surface for the examined conditions.
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