10-14 July 2016
Africa/Johannesburg timezone
Paper Submission is Open!! Registration for CCP2016 Conference will be open at the registration desk @ St. George's Hotel reception area on Sunday 10 July / Welcome Dinner at 18:30 SAST.

Computational study of dye adsorption in nano TIO<sub>2</sub> film for the applications in dye sensitized solar cells using different computational techniques

13 Jul 2016, 12:15
Oral Presentation Material and Nano Sciences Parallel Track B


Dr Nnditshedzeni Eric Maluta (University of Venda)

Abstract content <br> &nbsp; (Max 300 words)<br><a href="http://events.saip.org.za/getFile.py/access?resId=0&materialId=0&confId=34" target="_blank">Formatting &<br>Special chars</a>

The theoretical and computational studies of dye sensitized solar cells (DSSCs) can contribute to a deeper understanding of these types of solar cells. In the current study the density functional theory and the finite element methods are used to understand the factor affecting the dye adsorption and electronic properties of the TIO2 semiconductor as the main element of DSSCs. The light adsorption occurs in dye molecules adsorbed on a highly porous structure of TIO2 film. The processes followed experimentally for dye uptake is by dipping the TIO2 semiconductor electrode into the dye solution for periods of several hours to several days. To understand the process of dye adsorption on the surface of TIO2, the DFT calculations was carried out to study the electronic structure of the ruthenium doped brookite TIO2 surface. The factors controlling the dye uptake process are also investigated, using a simple model based on the Langmuir isotherms. Our computational modelling results show that the adsorption of dye into the TIO2 nanotubes film is controlled by the diffusion coefficient, the adsorption-desorption ratio and the initial dye concentration.
Keywords: Solar Cells, Dye Sensitized, Dye, Surface Coverage, Langmuir

Primary author

Dr Nnditshedzeni Eric Maluta (University of Venda)


Mrs Sophie Mulaudzi (University of Venda) Prof. Vaith Sankaran (University of Venda)

Presentation Materials

There are no materials yet.

Peer reviewing