Since its inception in 2014, UNCAGE-ME has created structure-property relationships that accelerated materials discovery for acid gas separations, conversion, and utilization via an integrated set of design tools. The Center has provided detailed descriptions of the impact of acid gas exposure on a variety of materials during the first two phases. The UNCAGE-ME team will leverage capabilities that have been developed over the last 8 years to address basic science questions associated with the evolution of materials to be used in clean energy technologies. These technologies include systems that are designed to synthesize, capture, or convert H2, or CO2. Examples of basic science questions include: Which biogenic contaminants are the most impactful on DAC processes? Which byproducts from nonconventional H2 production result in binding site structural or chemical changes in catalysts/electrocatalysts and other downstream materials, and how do these nanoscale changes occur? How can computational and data-driven methods enable co-design of materials and processes for clean energy technologies? UNCAGE-ME will utilize an interdisciplinary, matrixed research structure that combines novel materials synthesis, in situ characterization techniques, molecular modeling, and data science approaches to achieve an unprecedented level of design, prediction, and control over (electro)catalysts, sorbents, and membranes.
