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Challenges in dye-sensitised solar cells: a theoretical study

Terranova, U; (2013) Challenges in dye-sensitised solar cells: a theoretical study. Doctoral thesis , UCL (University College London). Green open access

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Abstract

Up to now, the market of solar cells has been dominated by the conventional silicon devices. Recently, a new class of solar cells, known as dye-sensitised solar cells (DSSCs) have emerged. They are based on the hybrid chromophore/TiO2 semiconductor interface, and the low cost of manufacturing and the flexibility make them a very promising alternative to the traditional silicon cells. With this thesis, we aim at investigating theoretically, by means of density functional theory atomistic simulations, some of the current challenges in DSSCs. In particular, we will focus on the binding mode of the most common anchoring groups to TiO2, the coating of TiO2 with a second oxide such as Al2O3 to increase the efficiency, the issues related to the island growth mode during the atomic layer deposition of Al2O3 on TiO2, and the use of the delta self-consistent field method for the excitations of natural anthocyanidins. The idea is to provide experimentalists with useful guidelines for the design of devices with improved efficiencies.

Type: Thesis (Doctoral)
Title: Challenges in dye-sensitised solar cells: a theoretical study
Open access status: An open access version is available from UCL Discovery
Language: English
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/1388181
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