Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors
Abstract
A good heterogeneous catalyst for a given chemical reaction very often has only one specific type of surface site that is catalytically active. Widespread methodologies such as Sabatier-type activity plots determine optimal adsorption energies to maximize catalytic activity, but these are difficult to use as guidelines to devise new catalysts. We introduce “coordination-activity plots” that predict the geometric structure of optimal active sites. The method is illustrated on the oxygen reduction reaction catalyzed by platinum. Sites with the same number of first-nearest neighbors as (111) terraces but with an increased number of second-nearest neighbors are predicted to have superior catalytic activity. We used this rationale to create highly active sites on platinum (111), without alloying and using three different affordable experimental methods.
- Publication:
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Science
- Pub Date:
- October 2015
- DOI:
- 10.1126/science.aab3501
- Bibcode:
- 2015Sci...350..185C
- Keywords:
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- CHEMISTRY