Steps on anatase TiO2(101)

Xue Qing Gong, Annabella Selloni, Matthias Batzill, Ulrike Diebold

Research output: Contribution to journalArticlepeer-review

381 Scopus citations


The structure, energies and chemistry of step edges and the common intrinsic defects on surfaces of TiO2 anatase, were determined. TiO2 nanoparticles were of the anatase form and a considerable fraction of the reactivity of TiO2 nanoparticles comes from the steps. First principles calculations on anatase(101) confirmed the step formation energy of differently oriented step edges scaled with the surface energy of the extended facet. The reactivity of a step edge followed that of a corresponding flat surface and one of the step edges considered less reactive than the anatase surface itself. The scanning tunneling microscopy(STM) image highlighted the characteristic terrace-step structure of anatase. With the help of STM and first principles calculations of step formation energies, a detailed characterization of atomic steps on anatase TiO2(101) were obtained.

Original languageEnglish (US)
Pages (from-to)665-670
Number of pages6
JournalNature Materials
Issue number8
StatePublished - Aug 21 2006

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • General Materials Science


Dive into the research topics of 'Steps on anatase TiO2(101)'. Together they form a unique fingerprint.

Cite this