Adsorption of phenylphosphonic acid on rutile TiO2(110)

Köbl J, Wechsler D, Kataev E, Williams FJ, Tsud N, Franchi S, Steinrück HP, Lytken O (2020)

Publication Type: Journal article

Publication year: 2020

Journal

Surface Science Elsevier

Book Volume: 698

Article Number: 121612

DOI: 10.1016/j.susc.2020.121612

Abstract

Binding of functionalized organic molecules to oxide surfaces is an important step in the rational design of molecular devices. In the present investigation, we used synchrotron radiation photoelectron spectroscopy and near-edge X-ray absorption fine structure spectroscopy to determine the binding mode, electronic structure and adsorption geometry of phenylphosphonic acid (PPA) on TiO2(110)–(1 × 1). We found that PPA multilayers desorb below 380 K leaving a compact PPA monolayer adsorbed on the surface, which remains stable up to 780 K. In the 380–520 K temperature range, molecules are anchored to the surface via a single P–O–Ti covalent bond (monodentate configuration). Furthermore, the phenyl ring is tilted ~45° with respect to the surface plane and it either forms 45° or is randomly oriented with respect to [001] crystallographic direction. Raising the temperature above 520 K partially transforms the monodentate configuration to a mixed one- and twofold deprotonated bidentate binding mode, presumably after surface hydroxyl groups leave the surface as water molecules. This change in molecular binding does not alter the molecular electronic structure nor the adsorption geometry, which remain essentially unchanged.

Authors with CRIS profile

Julia Köbl Lehrstuhl für Physikalische Chemie II Daniel Wechsler Lehrstuhl für Physikalische Chemie II Elmar Kataev Lehrstuhl für Physikalische Chemie II Hans-Peter Steinrück Lehrstuhl für Physikalische Chemie II Ole Lytken Lehrstuhl für Physikalische Chemie II

Involved external institutions

Universidad de Buenos Aires (UBA) / University of Buenos Aires AR Argentina (AR) Univerzita Karlova v Praze / Charles University in Prague CZ Czech Republic (CZ) Elettra Sincrotrone Trieste S.C.p.A. IT Italy (IT)

How to cite

APA:

Köbl, J., Wechsler, D., Kataev, E., Williams, F.J., Tsud, N., Franchi, S.,... Lytken, O. (2020). Adsorption of phenylphosphonic acid on rutile TiO2(110). Surface Science, 698. https://dx.doi.org/10.1016/j.susc.2020.121612

MLA:

Köbl, Julia, et al. "Adsorption of phenylphosphonic acid on rutile TiO2(110)." Surface Science 698 (2020).

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