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An Experimental Investigation of the Adsorption of a Phosphonic Acid on the Anatase TiO2(101) Surface

Wagstaffe, Michael; Thomas, Andrew G.; Jackman, Mark. J.; Torres-Molina, Maria; Syres, Karen L. and Handrup, Karsten LU (2016) In Journal of Physical Chemistry C 120(3). p.1693-1700
Abstract
A combination of synchrotron radiation photoelectron spectroscopy and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy has been used to study the adsorption of phenylphosphonic acid (PPA) on anatase TiO2(101) single crystal at coverages of 0.15 monolayer (ML) and 0.85 ML. The photoelectron spectroscopy data suggest that at 0.15 ML coverage PPA adsorbs in a bidentate geometry following deprotonation of both phosphonate hydroxyl groups, leaving the P-O group unbound. At 0.85 ML there is a shift to a mixed bidentate/monodentate binding mode. The carbon K-edge NEXAFS spectra were recorded at two azimuths. Our calculations show that for PPA on anatase TiO2(101) the phenyl ring is oriented 65 +/- 4 degrees away from the surface... (More)
A combination of synchrotron radiation photoelectron spectroscopy and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy has been used to study the adsorption of phenylphosphonic acid (PPA) on anatase TiO2(101) single crystal at coverages of 0.15 monolayer (ML) and 0.85 ML. The photoelectron spectroscopy data suggest that at 0.15 ML coverage PPA adsorbs in a bidentate geometry following deprotonation of both phosphonate hydroxyl groups, leaving the P-O group unbound. At 0.85 ML there is a shift to a mixed bidentate/monodentate binding mode. The carbon K-edge NEXAFS spectra were recorded at two azimuths. Our calculations show that for PPA on anatase TiO2(101) the phenyl ring is oriented 65 +/- 4 degrees away from the surface plane with an azimuthal twist of 57 +/- 11 degrees away from the [101] azimuth. (Less)
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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physical Chemistry C
volume
120
issue
3
pages
1693 - 1700
publisher
The American Chemical Society
external identifiers
  • wos:000369116100036
  • scopus:84956687878
ISSN
1932-7447
DOI
10.1021/acs.jpcc.5b11258
language
English
LU publication?
yes
id
eda2360b-5f77-4119-9854-b8de1716fe46 (old id 8728650)
date added to LUP
2016-02-26 12:30:24
date last changed
2017-10-08 03:00:30
@article{eda2360b-5f77-4119-9854-b8de1716fe46,
  abstract     = {A combination of synchrotron radiation photoelectron spectroscopy and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy has been used to study the adsorption of phenylphosphonic acid (PPA) on anatase TiO2(101) single crystal at coverages of 0.15 monolayer (ML) and 0.85 ML. The photoelectron spectroscopy data suggest that at 0.15 ML coverage PPA adsorbs in a bidentate geometry following deprotonation of both phosphonate hydroxyl groups, leaving the P-O group unbound. At 0.85 ML there is a shift to a mixed bidentate/monodentate binding mode. The carbon K-edge NEXAFS spectra were recorded at two azimuths. Our calculations show that for PPA on anatase TiO2(101) the phenyl ring is oriented 65 +/- 4 degrees away from the surface plane with an azimuthal twist of 57 +/- 11 degrees away from the [101] azimuth.},
  author       = {Wagstaffe, Michael and Thomas, Andrew G. and Jackman, Mark. J. and Torres-Molina, Maria and Syres, Karen L. and Handrup, Karsten},
  issn         = {1932-7447},
  language     = {eng},
  number       = {3},
  pages        = {1693--1700},
  publisher    = {The American Chemical Society},
  series       = {Journal of Physical Chemistry C},
  title        = {An Experimental Investigation of the Adsorption of a Phosphonic Acid on the Anatase TiO2(101) Surface},
  url          = {http://dx.doi.org/10.1021/acs.jpcc.5b11258},
  volume       = {120},
  year         = {2016},
}