Highly Polarizable Catalysts
Generate a family of MOFs with sulfur-based clusters and systematically investigate their activity as earth abundant catalysts.
Systematically understand (1) how the application of applied potential restructures MOF-templated clusters and (2) how reactant-permeable MOsFs can be exploited to optimally define the structure, and thereby, the reactivity of electrified interfaces.
Hydrogen Storage & Sustainable Fuels
Harness the geometric and chemical diversity of metal-organic frameworks to create catalysts with high densities of well-defined active sites, linking the three-dimensional definition of MOFs with the tailored properties of the diverse set of nodes and linkers.
Theory Computation & Active Learning
Broadly we are addressing the questions What chemical sensitivity, spatial resolution, and temporal resolution is needed to evaluate catalyst performance? How can we evaluate the dynamics relevant to catalyst function? What are the limits of experimental characterization? Specific questions include: Which time and length scales are relevant to characterization? How do we probe local defects in these environments? How do we evaluate collective mesoscale phenomena?