Adsorbate-Induced Modification of Surface Electronic Structure: Pyrocatechol Adsorption on the Anatase TiO2 (101) and Rutile TiO2 (110) Surfaces
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/3256349
- author
- Syres, Karen L. ; Thomas, Andrew G. ; Flavell, Wendy R. ; Spencer, Ben F. ; Bondino, Federica ; Malvestuto, Marco ; Preobrajenski, Alexei LU and Graetzel, Michael
- organization
- publishing date
- 2012
- 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 (ACS)
- 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
- 2016-04-01 10:18:53
- date last changed
- 2022-03-12 04:38:42
@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 (ACS)}}, 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}}, doi = {{10.1021/jp308614k}}, volume = {{116}}, year = {{2012}}, }