The prediction of new materials using computational methods, as well as through the application of existing chemical and mechanistic insights, has evolved to a point where there are many more candidate materials than can be synthesized and characterized experimentally. At the same time, existing materials provide important opportunities for gaining a deeper understanding of the structure-property relationships that underpin their functions. We have been developing methods for the predictive, by-design synthesis of complex solids and nanostructures with precisely controlled features, including crystal structure, composition, and interfaces. This talk will provide a broad overview of these synthetic methods and their capabilities, as well as examples of new materials for energy applications that have been discovered using them. We have also been uncovering new insights into key materials features that facilitate useful catalytic transformations. This talk will also highlight new mechanistic insights into nanostructured catalysts for selective hydrogenation reactions.

Synthetic design of materials for energy applications

2019 Fall National Meeting

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