Water Dissociation and Hydroxyl Ordering on Anatase TiO2(001)(1×4)

Igor Beinik, Albert Bruix, Zheshen Li, Kræn C. Adamsen, Stig Koust, Bjørk Hammer, Stefan Wendt, and Jeppe V. Lauritsen
Phys. Rev. Lett. 121, 206003 – Published 15 November 2018
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Abstract

We studied the interaction of water with the anatase TiO2(001) surface by means of scanning tunneling microscopy, x-ray photoelectron spectroscopy, and density functional theory calculations. Water adsorbs dissociatively on the ridges of a (1×4) reconstructed surface, resulting in a (3×4) periodic structure of hydroxyl pairs. We observed this process at 120 K, and the created hydroxyls desorb from the surface by recombination to water, which occurs below 300 K. Our calculations reveal the water dissociation mechanism and uncover a very pronounced dependence on the coverage. This strong coverage dependence is explained through water-induced reconstruction on anatase TiO2(001)(1×4). The high intrinsic reactivity of the anatase TiO2(001) surface towards water observed here is fundamentally different from that seen on other surfaces of titania and may explain its high catalytic activity in heterogeneous catalysis and photocatalysis.

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  • Received 29 June 2018
  • Revised 8 October 2018

DOI:https://doi.org/10.1103/PhysRevLett.121.206003

© 2018 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Igor Beinik1, Albert Bruix1,2, Zheshen Li2, Kræn C. Adamsen1, Stig Koust1, Bjørk Hammer1,2, Stefan Wendt1,*, and Jeppe V. Lauritsen1,†

  • 1Interdisciplinary Nanoscience Center (iNANO), Aarhus University, DK-8000 Aarhus C, Denmark
  • 2Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus C, Denmark

  • *swendt@phys.au.dk
  • jvang@inano.au.dk

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Issue

Vol. 121, Iss. 20 — 16 November 2018

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