Research programs
(English)
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COST-Action D35 - From molecules to molecular devices: control of electronic, photonic, magnetic and spintronic behaviour
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Short description
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Fundamental studies on key components and processes of molecular photonic and optoelectronic devices based on semi-conducting oxide layers will be the main focus of the proposed work in this project. While major part of our work will be on Titania (TiO2), utility of oxide layers of ZnO and Fe2O3 will also be explored. Dye-sensitized Solar Cells and Intercalation batteries based on Li-ion insertion will be the two devices we will be concerned with. Thin film oxide layers usually of few micron thickness, are composed either of well-defined nanocrystals (such as nanorods, nanoribbons and inverse opals) or mesoscopic oxide films derived from monodispersed colloids. A new series of functionalized Ru-polypyridyl complexes will be synthesized and their performance in solar cells with be studied. Another objective of the work will be to work out a comprehensive framework where several physico-chemical techniques will be developed and tested in dye-sensitized solar cells in toto.
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Partners and International Organizations
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AT, BE, CH, CZ, DE, DK, EE, ES, FI, FR, GR, HU, IE, IT, LT, NL, PL, PT, RO, SE, SK, UK
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Abstract
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The objective of the COST D35 funded program is the synthesis and characterisation of new series of photosensitizers for use in Dye-Sensitized Solar Cells. In earlier work, several heteroleptic Ru-complexes have been prepared containing new tetradentate imine ligands LL= N,N-di(4,4’-dimethylcarboxylate-2,2’-bipyrid-6-yl)-pentylamine and LL’ = N-(4,4’-dimethylcarboxylate-2,2’-bipyrid-6-yl)-N’-(2,2’-bipyrid-6-yl)-pentylamine have been synthesized and characterised. Recent emphasis has been on the design of new metal complex sensitizers having a panchromatic response with improved molar extinction coefficients. A new terpyridine template based ligand, a 2,2':6',2':6',2''-quaterpyridine p-conjugated with electron rich arylvinylene substituents has been synthesized. The anchoring functionality to TiO2 (typically COOH) and the p-conjugated ancillary functionality, responsible for tuning additional properties, are embedded within the same polypyridine framework, giving the possibility of preparing homoleptic Ru(II) complexes combining the properties associated to both fragments. Ru-dyes based on this ligand have been prepared and tested in DSCs. In addition, DFT/TDDFT calculations have been performed for the sensitizers in solution and for a TiO2 nanoparticle model, analyzing the sensitizer adsorption geometry on the TiO2 surface and its influence on the open circuit potential and highlighting the factors affecting the measured photovoltaic efficiencies.
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