Tuning oxide activity through modification of the crystal and electronic structure: from strain to potential polymorphs

  • Xu Z
  • Kitchin J
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Abstract

The structure-sensitivity of oxide catalysts is explored using density functional theory. The potential activities of undiscovered, oxide polymorphs are evaluated for use in the oxygen evolution reaction.

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Authors

  • Zhongnan Xu

  • John R. Kitchin

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