Designing oxygen reduction catalysts: Insights from metalloenzymes Academic Article

abstract

• 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.

authors

• Balbuena, Perla

published proceedings

• CHEMICAL PHYSICS LETTERS

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

publisher

• Elsevier  Publisher

keywords

• 34 Chemical Sciences
• 3402 Inorganic Chemistry

Digital Object Identifier (DOI)

• 10.1016/j.cplett.2007.04.022

start page

• 130

end page

• 133

volume

• 440

issue

• 1-3

URL

• http://dx.doi.org/10.1016/j.cplett.2007.04.022