Theoretical analysis of space charge layer formation at metal/ionic conductor interfaces

Shusuke Kasamatsu, Tomofumi Tada, Satoshi Watanabe

Research output: Contribution to journalArticlepeer-review

17 Citations (Scopus)

Abstract

We examine the space charge layer formation at metal/ionic conductor interfaces by solving Poisson's equation using defect energetics calculated from first principles. The scheme is applied to zirconia, and we find that oxidizing atmosphere and high valence band offset result in negative space charge accumulation at the interface, while reducing atmosphere and low valence band offset result in positive charge accumulation. This is explained in terms of the alignment of the Fermi levels in the metal and the ionic conductor.

Original languageEnglish
Pages (from-to)20-25
Number of pages6
JournalSolid State Ionics
Volume183
Issue number1
DOIs
Publication statusPublished - Feb 11 2011
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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