Structure of the SnO2(110)-(4 x 1) Surface

Publikation: Bidrag til tidsskrift/Konferencebidrag i tidsskrift /Bidrag til avisTidsskriftartikelForskningpeer review

Dokumenter

DOI

  • Lindsay R. Merte, Div Synchrotron Radiat Res, Lund Univ, Dept Urol, Lund, Lund University
  • ,
  • Mathias S. Jorgensen
  • ,
  • Katariina Pussi, LUT Sch Engn Sci
  • ,
  • Johan Gustafson, Lund University
  • ,
  • Mikhail Shipilin, Lund University
  • ,
  • Andreas Schaefer, Lund University
  • ,
  • Chu Zhang, Lund University
  • ,
  • Jonathan Rawle, Diamond Light Source
  • ,
  • Chris Nicklin, Diamond Light Source
  • ,
  • Geoff Thornton, University College London, London
  • ,
  • Robert Lindsay, Manchester University, Manchester, UK.
  • ,
  • Bjork Hammer
  • Edvin Lundgren, Lund University

Using surface x-ray diffraction (SXRD), quantitative low-energy electron diffraction (LEED), and density-functional theory (DFT) calculations, we have determined the structure of the (4 x 1) reconstruction formed by sputtering and annealing of the SnO2(110) surface. We find that the reconstruction consists of an ordered arrangement of Sn3O3 clusters bound atop the bulk-terminated SnO2(110) surface. The model was found by application of a DFT-based evolutionary algorithm with surface compositions based on SXRD, and shows excellent agreement with LEED and with previously published scanning tunneling microscopy measurements. The model proposed previously consisting of inplane oxygen vacancies is thus shown to be incorrect, and our result suggests instead that Sn(II) species in interstitial positions are the more relevant features of reduced SnO2(110) surfaces.

OriginalsprogEngelsk
Artikelnummer096102
TidsskriftPhysical Review Letters
Vol/bind119
Nummer9
Antal sider6
ISSN0031-9007
DOI
StatusUdgivet - 31 aug. 2017

Se relationer på Aarhus Universitet Citationsformater

Download-statistik

Ingen data tilgængelig

ID: 117046213