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

26 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 2012

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Oxides
oxides
Surface structure
Physics
Adsorption
reactivity
valence
physics
adsorption

Keywords

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

ASJC Scopus subject areas

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

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

A chemical approach to understanding oxide surfaces. / Enterkin, James A.; Becerra-Toledo, Andres E.; Poeppelmeier, Kenneth R; Marks, Laurence D.

In: Surface Science, Vol. 606, No. 3-4, 02.2012, p. 344-355.

Research output: Contribution to journalArticle

Enterkin, JA, Becerra-Toledo, AE, Poeppelmeier, KR & Marks, LD 2012, 'A chemical approach to understanding oxide surfaces', Surface Science, vol. 606, no. 3-4, pp. 344-355. https://doi.org/10.1016/j.susc.2011.10.018
Enterkin, James A. ; Becerra-Toledo, Andres E. ; Poeppelmeier, Kenneth R ; Marks, Laurence D. / A chemical approach to understanding oxide surfaces. In: Surface Science. 2012 ; Vol. 606, No. 3-4. pp. 344-355.
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