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

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Adsorption geometry, molecular interaction, and charge transfer of triphenylamine-based dye on rutile TiO2(110). / Yu, Shun; Ahmadi, Sareh; Zuleta, Marcelo; Tian, Haining; Schulte, Karina; Pietzsch, Annette; Hennies, Franz; Weissenrieder, Jonas; Yang, Xichuan; Gothelid, Mats.

In: Journal of Chemical Physics, Vol. 133, No. 22, 224704, 2010.

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Yu, Shun ; Ahmadi, Sareh ; Zuleta, Marcelo ; Tian, Haining ; Schulte, Karina ; Pietzsch, Annette ; Hennies, Franz ; Weissenrieder, Jonas ; Yang, Xichuan ; Gothelid, Mats. / Adsorption geometry, molecular interaction, and charge transfer of triphenylamine-based dye on rutile TiO2(110). In: Journal of Chemical Physics. 2010 ; Vol. 133, No. 22.

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TY - JOUR

T1 - Adsorption geometry, molecular interaction, and charge transfer of triphenylamine-based dye on rutile TiO2(110)

AU - Yu, Shun

AU - Ahmadi, Sareh

AU - Zuleta, Marcelo

AU - Tian, Haining

AU - Schulte, Karina

AU - Pietzsch, Annette

AU - Hennies, Franz

AU - Weissenrieder, Jonas

AU - Yang, Xichuan

AU - Gothelid, Mats

PY - 2010

Y1 - 2010

N2 - 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]

AB - 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]

U2 - 10.1063/1.3509389

DO - 10.1063/1.3509389

M3 - Article

VL - 133

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 22

M1 - 224704

ER -