A chemical approach to understanding oxide surfaces

James A. Enterkin, Andres E. Becerra-Toledo, Kenneth R. Poeppelmeier, Laurence D. Marks

Research output: Contribution to journalArticle

32 Citations (Scopus)

Abstract

Chemical bonding has often been ignored in favor of physics based energetic considerations in attempts to understand the structure, stability, and reactivity of oxide surfaces. Herein, we analyze the chemical bonding in published structures of the SrTiO 3, MgO, and NiO surfaces using bond valence sum (BVS) analysis. These simple chemical bonding theories compare favorably with far more complex quantum mechanical calculations in assessing surface structure stability. Further, the coordination and bonding of surface structures explains the observed stability in a readily comprehensible manner. Finally, we demonstrate how simple chemical bonding models accurately predict the adsorption of foreign species onto surfaces, and how such models can be used to predict changes in surface structures.

Original languageEnglish
Pages (from-to)344-355
Number of pages12
JournalSurface Science
Volume606
Issue number3-4
DOIs
Publication statusPublished - Feb 1 2012

Keywords

  • Bond valence sum
  • Chemical bond
  • Coordination
  • Metal oxide
  • Surface structure

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry

Fingerprint Dive into the research topics of 'A chemical approach to understanding oxide surfaces'. Together they form a unique fingerprint.

  • Cite this

    Enterkin, J. A., Becerra-Toledo, A. E., Poeppelmeier, K. R., & Marks, L. D. (2012). A chemical approach to understanding oxide surfaces. Surface Science, 606(3-4), 344-355. https://doi.org/10.1016/j.susc.2011.10.018