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Adsorption Studies of p-Aminobenzoic Acid on the Anatase TiO2(101) Surface

Thomas, Andrew G.; Jackman, Mark J.; Wagstaffe, Michael; Radtke, Hanna; Syres, Karen; Adell, Johan LU ; Levy, Anna and Martsinovich, Natalia (2014) In Langmuir 30(41). p.12306-12314
Abstract
The adsorption of p-aminobenzoic acid (pABA) on the anatase TiO2(101) surface has been investigated using synchrotron radiation photoelectron spectroscopy, near edge X-ray absorption fine structure (NEXAFS) spectroscopy, and density functional theory (DFT). Photoelectron spectroscopy indicates that the molecule is adsorbed in a bidentate mode through the carboxyl group following deprotonation. NEXAFS spectroscopy and DFT calculations of the adsorption structures indicate the ordering of a monolayer of the amino acid on the surface with the plane of the ring in an almost upright orientation. The adsorption of pABA on nanoparticulate TiO2 leads to a red shift of the optical absorption relative to bare TiO2 nanoparticles. DFT and valence band... (More)
The adsorption of p-aminobenzoic acid (pABA) on the anatase TiO2(101) surface has been investigated using synchrotron radiation photoelectron spectroscopy, near edge X-ray absorption fine structure (NEXAFS) spectroscopy, and density functional theory (DFT). Photoelectron spectroscopy indicates that the molecule is adsorbed in a bidentate mode through the carboxyl group following deprotonation. NEXAFS spectroscopy and DFT calculations of the adsorption structures indicate the ordering of a monolayer of the amino acid on the surface with the plane of the ring in an almost upright orientation. The adsorption of pABA on nanoparticulate TiO2 leads to a red shift of the optical absorption relative to bare TiO2 nanoparticles. DFT and valence band photoelectron spectroscopy suggest that the shift is attributed to the presence of the highest occupied molecular orbitals in the TiO2 band gap region and the presence of new molecularly derived states near the foot of the TiO2 conduction band. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Langmuir
volume
30
issue
41
pages
12306 - 12314
publisher
The American Chemical Society
external identifiers
  • wos:000343638800025
  • scopus:84908056768
ISSN
0743-7463
DOI
10.1021/la5032619
language
English
LU publication?
yes
id
e621c3a2-2295-4cc3-9d57-71f5cf7761f1 (old id 4780786)
date added to LUP
2014-11-20 09:32:39
date last changed
2017-10-22 03:22:19
@article{e621c3a2-2295-4cc3-9d57-71f5cf7761f1,
  abstract     = {The adsorption of p-aminobenzoic acid (pABA) on the anatase TiO2(101) surface has been investigated using synchrotron radiation photoelectron spectroscopy, near edge X-ray absorption fine structure (NEXAFS) spectroscopy, and density functional theory (DFT). Photoelectron spectroscopy indicates that the molecule is adsorbed in a bidentate mode through the carboxyl group following deprotonation. NEXAFS spectroscopy and DFT calculations of the adsorption structures indicate the ordering of a monolayer of the amino acid on the surface with the plane of the ring in an almost upright orientation. The adsorption of pABA on nanoparticulate TiO2 leads to a red shift of the optical absorption relative to bare TiO2 nanoparticles. DFT and valence band photoelectron spectroscopy suggest that the shift is attributed to the presence of the highest occupied molecular orbitals in the TiO2 band gap region and the presence of new molecularly derived states near the foot of the TiO2 conduction band.},
  author       = {Thomas, Andrew G. and Jackman, Mark J. and Wagstaffe, Michael and Radtke, Hanna and Syres, Karen and Adell, Johan and Levy, Anna and Martsinovich, Natalia},
  issn         = {0743-7463},
  language     = {eng},
  number       = {41},
  pages        = {12306--12314},
  publisher    = {The American Chemical Society},
  series       = {Langmuir},
  title        = {Adsorption Studies of p-Aminobenzoic Acid on the Anatase TiO2(101) Surface},
  url          = {http://dx.doi.org/10.1021/la5032619},
  volume       = {30},
  year         = {2014},
}