Effects of strain, d-band filling, and oxidation state on the surface electronic structure and reactivity of 3d perovskite surfaces

Sneha A. Akhade, John R. Kitchin
  • The Journal of Chemical Physics, January 2012, American Institute of Physics
  • DOI: 10.1063/1.4746117

What is it about?

The dependence of surface reactivity of metals on strain is well known. In this work, we draw comparisons of this understanding to perovskite surfaces. We find the perovskite surfaces are more complex, with additional dependence on the metal oxidation states. Still, there are simple trends that are observed which are analogous to those seen in transition metals over a broad range of perovskite compositions.

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http://dx.doi.org/10.1063/1.4746117

The following have contributed to this page: Professor John R Kitchin