Designing oxygen reduction catalysts: Insights from metalloenzymes Academic Article uri icon


  • A thermodynamic analysis using density functional theory suggests a parallelism between the mechanisms of cytochrome c oxidase and that of a bimetallic alloy catalyst for reducing oxygen to water. It is shown that ionic sites such as those in enzymes are thermodynamically more favorable than neutral atoms composing the alloy to catalyze specific reaction steps. The potential for designing novel effective oxygen reduction catalysts is discussed. 2007 Elsevier B.V. All rights reserved.

published proceedings


author list (cited authors)

  • Ma, Y., & Balbuena, P. B.

citation count

  • 18

complete list of authors

  • Ma, Yuguang||Balbuena, Perla B

publication date

  • May 2007