Despite the unique properties of core-shell bimetallic catalysts, the fundamental reasons for their high activity remain elusive. We will review a framework we developed to predict novel core-shell bimetallics. We will show how conventional models fail to quantitatively predict their activity and demonstrate that these materials exhibit bifunctional behavior that is key to understanding their performance. We will show that defected crystals possess superior performance and present a framework to predict the optimal microstructure.

Tuning catalytic performance via active site design

251st National Meeting (2016)

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