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Engineering Polarons at a Metal Oxide Surface
UCL, Dept Chem, 20 Gordon St, London WC1H 0AJ, England; UCL, London Ctr Nanotechnol, 20 Gordon St, London WC1H 0AJ, England.
Lincoln Univ, Sch Math & Phys, Lincoln LN6 7TS, England.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry. UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England; UCL, London Ctr Nanotechnol, Gower St, London WC1E 6BT, England.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry.
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2016 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 117, no 11, 116402Article in journal (Refereed) Published
Abstract [en]

Polarons in metal oxides are important in processes such as catalysis, high temperature superconductivity, and dielectric breakdown in nanoscale electronics. Here, we study the behavior of electron small polarons associated with oxygen vacancies at rutile TiO2(110), using a combination of low temperature scanning tunneling microscopy (STM), density functional theory, and classical molecular dynamics calculations. We find that the electrons are symmetrically distributed around isolated vacancies at 78 K, but as the temperature is reduced, their distributions become increasingly asymmetric, confirming their polaronic nature. By manipulating isolated vacancies with the STM tip, we show that particular configurations of polarons are preferred for given locations of the vacancies, which we ascribe to small residual electric fields in the surface. We also form a series of vacancy complexes and manipulate the Ti ions surrounding them, both of which change the associated electronic distributions. Thus, we demonstrate that the configurations of polarons can be engineered, paving the way for the construction of conductive pathways relevant to resistive switching devices.

Place, publisher, year, edition, pages
2016. Vol. 117, no 11, 116402
National Category
Materials Chemistry
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URN: urn:nbn:se:uu:diva-304253DOI: 10.1103/PhysRevLett.117.116402ISI: 000383248700014PubMedID: 27661706OAI: oai:DiVA.org:uu-304253DiVA: diva2:1014890
Funder
The Swedish Foundation for International Cooperation in Research and Higher Education (STINT)Swedish National Infrastructure for Computing (SNIC)Swedish Research CouncileSSENCE - An eScience CollaborationEU, European Research Council
Available from: 2016-10-03 Created: 2016-10-03 Last updated: 2016-10-19Bibliographically approved

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