Imaging of the Hydrogen Subsurface Site in Rutile TiO2

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© 2009 American Physical Society (APS). This is the accepted version of the following article: Enevoldsen, Georg H. & Pinto, Henry P. & Foster, Adam S. & Jensen, Mona C. R. & Hofer, Werner A. & Hammer, Bjørk & Lauritsen, Jeppe V. & Besenbacher, Flemming. 2009. Imaging of the Hydrogen Subsurface Site in Rutile TiO2. Physical Review Letters. Volume 102, Issue 13. 136103/1-4. ISSN 0031-9007 (printed). DOI: 10.1103/physrevlett.102.136103, which has been published in final form at http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.102.136103.

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Journal Title

Journal ISSN

Volume Title

School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Date

2009

Major/Subject

Mcode

Degree programme

Language

en

Pages

136103/1-4

Series

Physical Review Letters, Volume 102, Issue 13

Abstract

From an interplay between simultaneously recorded noncontact atomic force microscopy and scanning tunneling microscopy images and simulations based on density functional theory, we reveal the location of single hydrogen species in the surface and subsurface layers of rutile TiO2. Subsurface hydrogen atoms (Hsub) are found to reside in a stable interstitial site as subsurface OH groups detectable in scanning tunneling microscopy as a characteristic electronic state but imperceptible to atomic force microscopy. The combined atomic force microscopy, scanning tunneling microscopy, and density functional theory study demonstrates a general scheme to reveal near surface defects and interstitials in poorly conducting materials.

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Keywords

AFM, subsurface regions, H atoms, scanning tunneling microscopy, density functional theory

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Citation

Enevoldsen, Georg H. & Pinto, Henry P. & Foster, Adam S. & Jensen, Mona C. R. & Hofer, Werner A. & Hammer, Bjørk & Lauritsen, Jeppe V. & Besenbacher, Flemming. 2009. Imaging of the Hydrogen Subsurface Site in Rutile TiO2. Physical Review Letters. Volume 102, Issue 13. 136103/1-4. ISSN 0031-9007 (printed). DOI: 10.1103/physrevlett.102.136103.