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Defects at Oxide Surfaces pp 191–214Cite as

The Structure and Properties of Clean Steps at Oxide Surfaces

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Part of the book series: Springer Series in Surface Sciences ((SSSUR,volume 58))

Abstract

We present an overview of the structure and properties of clean steps at the surfaces of binary oxides, utilising recent data from scanning probe and spectroscopic experiments, and theoretical calculations. We review and discuss their atomic structure, electronic structure, and interactions with prototypical point defects, using examples from studies on technologically important oxides such as MgO, CeO2, TiO2 and ZrO2. We also review methods of calculating the step formation energy, and discuss reasons for their limited success in explaining the step structures observed in experiments.

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Acknowledgments

The authors would like to acknowledge support from the European Union via COST Action CM1104 “Reducible Oxide Chemistry, Structure and Functions”, and the provision of access to the facilities of HECToR, the UK’s national high-performance computing service, via the Materials Chemistry Consortium with EPSRC grant number EP/L000202. In addition, MJW would like to acknowledge funding from the Swedish Foundation for International Cooperation in Research and Higher Education (STINT), and J. Kullgren, P. Broqvist and K. Hermansson for their roles in several useful discussions.

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Authors and Affiliations

  1. Department of Chemistry – Ångström Laboratory, Uppsala University, Box 538, 751 21, Uppsala, Sweden

    Matthew J. Wolf

  2. Department of Physics and Astronomy, University College London, Gower Street, London, WC1E 6BT, UK

    Alexander L. Shluger

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  1. Matthew J. Wolf
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Correspondence to Matthew J. Wolf .

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Editors and Affiliations

  1. Paris Institute of Nanoscience, University Pierre and Marie Curie, Paris, France

    Jacques Jupille

  2. Department of Chemistry, University College London, London, United Kingdom

    Geoff Thornton

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Wolf, M.J., Shluger, A.L. (2015). The Structure and Properties of Clean Steps at Oxide Surfaces. In: Jupille, J., Thornton, G. (eds) Defects at Oxide Surfaces. Springer Series in Surface Sciences, vol 58. Springer, Cham. https://doi.org/10.1007/978-3-319-14367-5_6

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