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

Andrew G. Thomas | Zendy; Mark J. Jackman | Zendy; Michael Wagstaffe | Zendy; Hanna Radtke | Zendy; Karen L. Syres | Zendy; J. Adell | Zendy; A. Lévy | Zendy; Natalia Martsinovich | Zendy

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

Author(s) -

Andrew G. Thomas,

Mark J. Jackman,

Michael Wagstaffe,

Hanna Radtke,

Karen L. Syres,

J. Adell,

A. Lévy,

Natalia Martsinovich

Publication year - 2014

Publication title -

langmuir

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.042

H-Index - 333

eISSN - 1520-5827

pISSN - 0743-7463

DOI - 10.1021/la5032619

Subject(s) - x ray photoelectron spectroscopy , density functional theory , xanes , anatase , chemistry , adsorption , spectroscopy , absorption spectroscopy , monolayer , band gap , crystallography , valence (chemistry) , analytical chemistry (journal) , materials science , computational chemistry , organic chemistry , photocatalysis , nuclear magnetic resonance , quantum mechanics , catalysis , optoelectronics , biochemistry , physics

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.

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