| 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. |
- 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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| 3. |
- Hahlin, Maria, et al.
(författare)
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Mapping the frontier electronic structures of triphenylamine based organic dyes at TiO2 interfaces
- 2011
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Ingår i: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 13:8, s. 3534-3546
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Tidskriftsartikel (refereegranskat)abstract
- 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.
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| 4. |
- Johansson, Erik M.J., et al.
(författare)
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Electronic and molecular surface structure of a polyene-diphenylaniline dye adsorbed from solution onto nanoporous TiO2
- 2007
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Ingår i: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 111:24, s. 8580-8586
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Tidskriftsartikel (refereegranskat)abstract
- The surface electronic and molecular structure of a new organic chromophore useful for dye-sensitized nanostructured solar cells has been investigated by means of electron spectroscopy. Initially the use of a simple molecular system containing the polyene-diphenylaniline chromophore in a solar cell device was verified. The electronic and molecular surface structure of the functional dye-sensitized interface was then investigated in detail by a combination of core level spectroscopy, valence level spectroscopy, X-ray absorption spectroscopy, and resonant photoemission spectroscopy. The results indicate a dominating orientation of the molecule at the surface, having the diphenylaniline moiety pointing out from the surface. Valence level spectroscopy, X-ray absorption spectroscopy, and resonant photoemission spectroscopy were used to experimentally delineate the frontier electronic structure of the molecule, and the experimental spectra were analyzed against theoretical spectra, based on density functional theory. Together the investigation gives insight into energy matching of the molecular electronic states with respect to the TiO2 substrate as well as the localization of the frontier electronic states and the direction of the charge-transfer absorption process with regards to the TiO2 surface.
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| 5. |
- Pavasars, Ivars, et al.
(författare)
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Alkaline degradation of cellulose : mechanisms and kinetics
- 2003
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Ingår i: Journal of Polymers and the Environment. - 1566-2543 .- 1572-8919. ; 11:2, s. 39-47
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Tidskriftsartikel (refereegranskat)abstract
- Cellulose powder and softwood sawdust were subjected to alkaline degradation under conditions representative of a cementitious environment for periods of 7 and 3 years, respectively. During the first 3 years, sampling was frequent, and data on the degradation of cellulose and production of isosaccharinic acid was used for establishing long-term prediction models. Samples after an additional period of 4 years were compared to the predicted values. The total rate of degradation was measured as the increase in total organic carbon (TOC) in corresponding solutions. A previously published theoretical model of degradation kinetics gave a good approximation of the present experimental data. Peeling-off, stopping, and alkaline hydrolysis reaction rate constants were obtained as model parameters, and the results suggested that the transformation of the glucose end group is the rate-limiting step in the cellulose peeling-off reaction and also determines the pH dependence of that reaction. After 3 years, isosaccharinic (ISA) acid represented 70-85% of all degradation products as quantified by capillary zone electrophoresis. The long-term prediction model indicated that all of the cellulose would be degraded after only 150-550 years. The control sampling after 7 years points toward a lower degradation of cellulose and production of ISA than predicted by the model, reflecting either a degradation of ISA that was faster than the production or a termination of the ISA production.
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