Adsorption geometry, molecular interaction, and charge transfer of triphenylamine-based dye on rutile TiO2(110)

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title = "Adsorption geometry, molecular interaction, and charge transfer of triphenylamine-based dye on rutile TiO2(110)",
abstract = "The fast development of new organic sensitizers leads to the need for a better understanding of the complexity and significance of their adsorption processes on TiO2 surfaces. We have investigated a prototype of the triphenylamine-cyanoacrylic acid (donor-acceptor) on rutile TiO2 (110) surface with special attention on the monolayer region. This molecule belongs to the type of dye, some of which so far has delivered the record efficiency of 10{\%}-10.3{\%} for pure organic sensitizers [W. Zeng, Y. Cao, Y. Bai, Y. Wang, Y. Shi, M. Zhang, F. Wang, C. Pan, and P. Wang, Chem. Mater. 22, 1915 (2010)]. The molecular configuration of this dye on the TiO2 surface was found to vary with coverage and adopt gradually an upright geometry, as determined from near edge x-ray absorption fine structure spectroscopy. Due to the molecular interaction within the increasingly dense packed layer, the molecular electronic structure changes systematically: all energy levels shift to higher binding energies, as shown by photoelectron spectroscopy. Furthermore, the investigation of charge delocalization within the molecule was carried out by means of resonant photoelectron spectroscopy. A fast delocalization (similar to 1.8 fs) occurs at the donor part while a competing process between delocalization and localization takes place at the acceptor part. This depicts the {"}push-pull{"} concept in donor-acceptor molecular system in time scale. (C) 2010 American Institute of Physics. [doi:10.1063/1.3509389]",
author = "Shun Yu and Sareh Ahmadi and Marcelo Zuleta and Haining Tian and Karina Schulte and Annette Pietzsch and Franz Hennies and Jonas Weissenrieder and Xichuan Yang and Mats Gothelid",
year = "2010",
doi = "10.1063/1.3509389",
language = "English",
volume = "133",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics",
number = "22",