Author/Authors :
Ducasse، نويسنده , , Laurent and Castet، نويسنده , , Frédéric and Méreau، نويسنده , , Raphaël and Nénon، نويسنده , , Sébastien and Idé، نويسنده , , Julien and Toupance، نويسنده , , Thierry and Olivier، نويسنده , , Céline، نويسنده ,
Abstract :
A joint experimental and theoretical study is carried out to investigate the structural and absorption properties of the C212 organic dye adsorbed onto the TiO2 anatase surface. UV–Vis measurements evidence a significant blue shift of the main absorption band of the dye upon absorption, which is well reproduced by theoretical calculations combining tight-binding and time-dependent DFT calculations. The blue shift is substantiated by a loss in the efficiency of the light-induced charge transfer along the anchored dye, which partly originates from the deprotonation of the carboxylic acid function.
