Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


Issue 20, 2016
Previous Article Next Article

Structural and electronic properties of dye-sensitized TiO2 for solar cell applications: from single molecules to self-assembled monolayers

Author affiliations

Abstract

We review computational contributions to the understanding of the physical principles underlying interface phenomena related to dye adsorption at the surface of titanium oxide, within the scope of dye sensitized solar cell applications. We focus our attention on the theoretical studies aimed at computationally representing dye-sensitized solar cells under realistic conditions, e.g. by including the solvent and the electrolyte in interactions with dye-sensitized TiO2 through protocols accounting for thermal nuclear motion. The impact of dye clustering and self-aggregation into monolayers on the optical and transport properties of dye-sensitized TiO2 is addressed. Computational studies of surface protonation, charge- and energy-transfer, or the influence of the presence of additive agents or co-sensitizers are also reviewed in relation to the electronic, spectroscopic, kinetic and diffusion properties of self-assembled dye monolayers sensitizing TiO2.

Graphical abstract: Structural and electronic properties of dye-sensitized TiO2 for solar cell applications: from single molecules to self-assembled monolayers

Back to tab navigation

Article information


Submitted
05 Feb 2016
Accepted
23 Mar 2016
First published
23 Mar 2016

J. Mater. Chem. C, 2016,4, 4346-4373
Article type
Review Article

Structural and electronic properties of dye-sensitized TiO2 for solar cell applications: from single molecules to self-assembled monolayers

M. Pastore, T. Etienne and F. De Angelis, J. Mater. Chem. C, 2016, 4, 4346
DOI: 10.1039/C6TC00554C

Social activity

Search articles by author

Spotlight

Advertisements