In this section
@inproceedings{Risplendi:2012,
author = {Risplendi, F and Cicero, G and Mallia, G and Bernasconi, L and Harrison, N},
publisher = {American Physical Society},
title = {A quantum-mechanical study of ZnO and TiO2 based DSC},
url = {http://www.aps.org/},
year = {2012}
}
TY - CPAPER
AB - Since the pioneering work of Graetzel, Dye Sensitized Cells (DSCs) have attracted great attention as cheap and effective solar power devices based on wide bandgap metal oxide electrode. Optimization of the DSC is a challenging task as it is a highly complex interacting molecular system. Surface properties of the metal-oxide and proper sensitization with dyes may strongly affect the efficiency. Optimizated DSCs based on TiO2 photoanodes and organic dye have reached conversion efficiency of about 10{\%} whereas the efficiency of ZnO based DSC has been found to be much lower, although this material has photochemical properties similar to TiO2, in general due to the nature of the binding between sensitizer and semiconductor. For this reason understanding how anchoring groups interact with the metal-oxide is fundamental to shed light on the different behaviour of these materials in DSC. Aim of this work is to address the binding of small organic sensitizers, such as catechol and isonicotinic acid molecules, to TiO2 and ZnO surfaces, in terms of geometry, stability, electronic structure and absorption properties. To this end, we employed quantum-mechanical simulations based on hybrid DFT and hybrid TDDFT.
AU - Risplendi,F
AU - Cicero,G
AU - Mallia,G
AU - Bernasconi,L
AU - Harrison,N
PB - American Physical Society
PY - 2012///
TI - A quantum-mechanical study of ZnO and TiO2 based DSC
UR - http://www.aps.org/
ER -
