15:30-16:15

First Principles Modelling for Dye-Sensitised Solar Cells

I will describe the recent computational work in the Cambridge MANA Satellite at UCL on the fundamental processes in dye-sensitised solar cells (DSSCs). By understanding the basic science of DSSCs, we can improve their design and efficiency. I will consider the atomic and electronic structure of particular dyes on TiO₂, the early stages of growth of thin alumina layers on TiO₂, and recent computational advances (linear scaling DFT, constrained DFT and time-dependent DFT) which will allow accurate modelling of electron transfer processes from the dye to the substrate.

Speaker

David Bowler, Department of Physics & Astronomy, University College London, UK

Chair

Masakazu Aono, MANA Director-General, MANA, NIMS