Oxide surfaces

Abstract

We review the current knowledge of the geometric and electronic structure of oxide surfaces. In particular, material published during the last five years and going beyond the latest book by Henrich and Cox, Surface Science of Oxide Surfaces, is documented. In addition to the discussion of effects on and in bulk oxide single crystal samples, and in fact mainly, we also refer to work on thin oxide films epitaxially grown on metallic substrates. Surface states on oxide surfaces as well as band structure effects are discussed. Reconstruction and the local electronic structure are other aspects covered. We review experimental as well as theoretical approaches. Adsorption on oxide surfaces is an important subject covered in this review, and oxide modification by metal adsorption is also mentioned.

First-principles study of surface properties of PuO2: Effects of thickness and O-vacancy on surface stability and chemical activity

“…1 by a variety of methods [34][35][36][37], including surface reconstruction, the presence of adsorbates, and changes in the surface electronic structure. In our present work, the polar (001) surface is modeled as two oxygen-terminated surfaces with 50% oxygen vacancies to fulfill the stoichiometric formula, and the different distributions of the 50% O-vacancy considered here are showed in Fig.…”

Adsorption–desorption equilibrium investigations of n-butane on nanocrystalline sulfated zirconia thin films

“…Thin, singlecrystalline films grown on conducting substrates have been successfully employed leading to a detailed knowledge of the surface structure and reactivity of oxides. [10,11] For example, Meinel et al [12] prepared single-crystalline cubic sulfated zirconia films by reactive deposition of zirconium onto Pt(111) in an O 2 atmosphere, followed by exposure to a SO 3 atmosphere. During sulfation a (√3 x √3)R30° structure develops, which is stable to 700 K. The drawbacks of single crystal models are their oversimplifications, for example the lack of defects and support interaction; the transfer of findings to "real" powder catalysts has thus had limited success.…”

Epitaxial Growth of Ruthenium Dioxides on Ru(0001) Surface

“…Contrary to the 3D RuO 2 cluster formation on Ru(0001) electrode, the gas phase oxidation at 700 K under UHV conditions tends to form chemisorbed O-islands on Ru(0001) [25], it induces the segregation of Ru-atoms to the surface. The Ru-atoms react in turn with the adsorbed oxygen at elevated temperatures forming patchy RuO 2 islands on Ru(0001) which assembles Al 2 O 3 thin film growth on NiAl(100) [33,34] where the strongly bonded O-species assist Al atoms segregation from NiAl(100) substrate. The free Al atoms turn to react with O ad to Al 2 O 3 on NiAl(100).…”