Studies of organic dye sensitizers for solar cells and water splitting
We conduct research in a project 'Artificial Leaf' at UmU with the aim to split water to hydrogen fuel. This project involves studies of organic photovoltaic solar cells, where organic compounds and oligomers are designed for strong broadband optical absorption of sunlight. Theoretical modeling, by quantum (DFT) methods, are applied to direct the synthetic work towards such chromophores with the desired properties. The light absorption bandwidth and oscillator strength, as well as orbital energies, are important parameters obtained from the DFT calculations, but also the estimated chemical stability and geometry are of interest.