Imaging of the Hydrogen Subsurface Site in Rutile TiO2

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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.
Description
Keywords
AFM, subsurface regions, H atoms, scanning tunneling microscopy, density functional theory
Other note
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.