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Showing 1 to 1 of 1 for “"Descriptor-based analysis"”.
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Exploring Design Opportunities of Bifunctional Catalysts Using Density Functional Theory and Microkinetic Modeling
Several examples of catalysts that perform multiple site-specific functionalities under steady-state reaction conditions have been reported in the literature. The most common systems are bifunctional catalysts where each of the two distinct sites catalyzes different reaction steps independently. …