Elucidating the reaction and diffusion network of oxygen interstitial atoms near a TiO 2 (1 1 0) surface

Kandis Leslie Gilliard-AbdulAziz, Edmund G. Seebauer

Research output: Contribution to journalArticlepeer-review


The kinetics and diffusion mechanism of surface-injected oxygen interstitials (O i ) in TiO 2 (1 1 0) were investigated using a microkinetics model in order to determine the effects of different conditions upon to the O i reaction-diffusion network. Extended defects, whether incipient or pre-existing, may act as a source or sink for O i . The present work uses a quantitative microkinetic model to describe this diffusion and reaction network based upon isotopic gas-solid exchange experiments. Pertinent outputs from the model determined that the activation barrier for surface injection of O i is 2.4 eV, while dissolution of O i from extended defect is 3.3 eV. The interstitial sequestration mechanism through extended defects leads to kinetic coupling effects that other sequestration mechanisms would not typically induce.

Original languageEnglish (US)
Pages (from-to)854-860
Number of pages7
JournalApplied Surface Science
StatePublished - Mar 15 2019


  • Defects
  • Diffusion
  • Oxygen
  • Semiconductor surface
  • Sulfur
  • TiO2

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Physics and Astronomy(all)
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films


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