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Adsorbate-Induced Modification of Surface Electronic Structure: Pyrocatechol Adsorption on the Anatase TiO2 (101) and Rutile TiO2 (110) Surfaces

Syres, Karen L.; Thomas, Andrew G.; Flavell, Wendy R.; Spencer, Ben F.; Bondino, Federica; Malvestuto, Marco; Preobrajenski, Alexei LU and Graetzel, Michael (2012) In Journal of Physical Chemistry C 116(44). p.23515-23525
Abstract
Photoemission and near-edge X-ray absorption fine structure (NEXAFS) techniques have been used to study the adsorption of pyrocatechol on anatase TiO2 (101) and rutile TiO2 (110) single crystals. Photoemission results suggest the pyrocatechol molecule adsorbs on both surfaces predominantly in a bidentate geometry. Using the searchlight effect, the carbon K-edge NEXAFS spectra recorded for pyrocatechol on anatase TiO2 (101) and rutile TiO2 (110) show the phenyl rings in the pyrocatechol molecule to be oriented at 27 +/- 6 degrees and 2.3 +/- 8 degrees, respectively, from the surface normal. Experimental data and computational models of the pyrocatechol-anatase TiO2 interface indicate the appearance of new occupied and unoccupied states on... (More)
Photoemission and near-edge X-ray absorption fine structure (NEXAFS) techniques have been used to study the adsorption of pyrocatechol on anatase TiO2 (101) and rutile TiO2 (110) single crystals. Photoemission results suggest the pyrocatechol molecule adsorbs on both surfaces predominantly in a bidentate geometry. Using the searchlight effect, the carbon K-edge NEXAFS spectra recorded for pyrocatechol on anatase TiO2 (101) and rutile TiO2 (110) show the phenyl rings in the pyrocatechol molecule to be oriented at 27 +/- 6 degrees and 2.3 +/- 8 degrees, respectively, from the surface normal. Experimental data and computational models of the pyrocatechol-anatase TiO2 interface indicate the appearance of new occupied and unoccupied states on adsorption due to hybridization between the electronic states of the pyrocatechol molecule and the surface. The atomic character of the new orbitals created facilitates direct photoinjection from pyrocatechol into anatase TiO2 and induces a strong final state effect in the carbon K-edge NEXAFS spectrum. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physical Chemistry C
volume
116
issue
44
pages
23515 - 23525
publisher
The American Chemical Society
external identifiers
  • wos:000310769300040
  • scopus:84868692707
ISSN
1932-7447
DOI
10.1021/jp308614k
language
English
LU publication?
yes
id
86fd3455-926d-4c70-b54d-2f8905901b75 (old id 3256349)
date added to LUP
2012-12-27 09:20:59
date last changed
2017-09-24 03:10:21
@article{86fd3455-926d-4c70-b54d-2f8905901b75,
  abstract     = {Photoemission and near-edge X-ray absorption fine structure (NEXAFS) techniques have been used to study the adsorption of pyrocatechol on anatase TiO2 (101) and rutile TiO2 (110) single crystals. Photoemission results suggest the pyrocatechol molecule adsorbs on both surfaces predominantly in a bidentate geometry. Using the searchlight effect, the carbon K-edge NEXAFS spectra recorded for pyrocatechol on anatase TiO2 (101) and rutile TiO2 (110) show the phenyl rings in the pyrocatechol molecule to be oriented at 27 +/- 6 degrees and 2.3 +/- 8 degrees, respectively, from the surface normal. Experimental data and computational models of the pyrocatechol-anatase TiO2 interface indicate the appearance of new occupied and unoccupied states on adsorption due to hybridization between the electronic states of the pyrocatechol molecule and the surface. The atomic character of the new orbitals created facilitates direct photoinjection from pyrocatechol into anatase TiO2 and induces a strong final state effect in the carbon K-edge NEXAFS spectrum.},
  author       = {Syres, Karen L. and Thomas, Andrew G. and Flavell, Wendy R. and Spencer, Ben F. and Bondino, Federica and Malvestuto, Marco and Preobrajenski, Alexei and Graetzel, Michael},
  issn         = {1932-7447},
  language     = {eng},
  number       = {44},
  pages        = {23515--23525},
  publisher    = {The American Chemical Society},
  series       = {Journal of Physical Chemistry C},
  title        = {Adsorbate-Induced Modification of Surface Electronic Structure: Pyrocatechol Adsorption on the Anatase TiO2 (101) and Rutile TiO2 (110) Surfaces},
  url          = {http://dx.doi.org/10.1021/jp308614k},
  volume       = {116},
  year         = {2012},
}