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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 LU ; Pietzsch, Annette LU ; Hennies, Franz LU ; Weissenrieder, Jonas; Yang, Xichuan and Gothelid, Mats (2010) In Journal of Chemical Physics 133(22).
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... (More)
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] (Less)
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published
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in
Journal of Chemical Physics
volume
133
issue
22
publisher
American Institute of Physics
external identifiers
  • wos:000285477800019
  • scopus:78650400126
ISSN
0021-9606
DOI
10.1063/1.3509389
language
English
LU publication?
yes
id
ef521627-ff85-4b4b-b4c5-fbe0598093d1 (old id 1815231)
date added to LUP
2011-03-10 09:48:17
date last changed
2018-05-29 11:50:49
@article{ef521627-ff85-4b4b-b4c5-fbe0598093d1,
  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]},
  articleno    = {224704},
  author       = {Yu, Shun and Ahmadi, Sareh and Zuleta, Marcelo and Tian, Haining and Schulte, Karina and Pietzsch, Annette and Hennies, Franz and Weissenrieder, Jonas and Yang, Xichuan and Gothelid, Mats},
  issn         = {0021-9606},
  language     = {eng},
  number       = {22},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Adsorption geometry, molecular interaction, and charge transfer of triphenylamine-based dye on rutile TiO2(110)},
  url          = {http://dx.doi.org/10.1063/1.3509389},
  volume       = {133},
  year         = {2010},
}