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

Karen L. Syres | Zendy; Andrew G. Thomas | Zendy; Wendy R. Flavell | Zendy; Ben F. Spencer | Zendy; Federica Bondino | Zendy; Marco Malvestuto | Zendy; Alexei B. Preobrajenski | Zendy; Michaël Grätzel | Zendy

Open Access

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

Author(s) -

Karen L. Syres,

Andrew G. Thomas,

Wendy R. Flavell,

Ben F. Spencer,

Federica Bondino,

Marco Malvestuto,

Alexei B. Preobrajenski,

Michaël Grätzel

Publication year - 2012

Publication title -

the journal of physical chemistry c

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.401

H-Index - 289

eISSN - 1932-7455

pISSN - 1932-7447

DOI - 10.1021/jp308614k

Subject(s) - anatase , xanes , rutile , adsorption , materials science , electronic structure , absorption (acoustics) , chemistry , analytical chemistry (journal) , crystallography , inorganic chemistry , spectral line , computational chemistry , organic chemistry , physics , photocatalysis , composite material , astronomy , catalysis

Photoemission and near-edge X-ray absorptionfine structure (NEXAFS) techniques have been used to studythe adsorption of pyrocatechol on anatase TiO2 (101) andrutile TiO2 (110) single crystals. Photoemission results suggestthe pyrocatechol molecule adsorbs on both surfaces predom-inantly in a bidentate geometry. Using the searchlight effect, thecarbon K-edge NEXAFS spectra recorded for pyrocatechol onanatase TiO2 (101) and rutile TiO2 (110) show the phenylrings in the pyrocatechol molecule to be oriented at 27 ± 6°and 23 ± 8°, respectively, from the surface normal.Experimental data and computational models of the pyroca-techol−anatase TiO2 interface indicate the appearance of newoccupied and unoccupied states on adsorption due tohybridization between the electronic states of the pyrocatecholmolecule 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

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