CX-100910 Computationally Accelerated Discovery and Experimental Demonstration of High-Performance Materials for Advanced Solar Thermochemical Hydrogen Production

Computationally Accelerated Discovery and Experimental Demonstration of High-Performance Materials for Advanced Solar Thermochemical Hydrogen Production
Award Number: DE-EE0008088
CX(s) Applied: A9, B3.6
Fuel Cells Technologies Office
Location(s): CO
Office(s): Golden Field Office

The U.S. Department of Energy (DOE) is proposing to provide federal funding to the University of Colorado Boulder (CU) for the utilization of materials informatics and machine learning to predict perovskite polymorphs for solar thermochemical water splitting and experimentally demonstrate materials with computationally predicted thermodynamic and kinetic properties. Project work would occur within existing laboratories at CU and collaboration is expected to occur with the HydroGEN Energy Materials Network National Laboratory consortium. This is a three-year research project that includes three budget periods. Only Budget Period 1 (BP1) is being negotiated at this time so this NEPA review is for BP1 activities only. Additional NEPA review will be required if DOE proposes to continue funding the project into subsequent budget periods.

Project work includes materials and process characterization experiments to demonstrate the water splitting ability of candidate materials. Feedback from experiments would be used to validate models and inform the down-selection criteria for candidate active materials identified from screening. Project work would occur in existing laboratories designed for this type of work that would utilize standard laboratory equipment; therefore no modifications, new permits, additional licenses and/or authorizations would be necessary. No ground disturbing activities, no changes in operation of existing facilities, and no installation of equipment outdoors would occur at any of the laboratories involved in the project. Project work would involve the use and handling of various hazardous materials, including metals and metal oxides. All such handling would occur in-lab utilizing proper hazardous material handling and disposal practices to ensure project activities would pose no risk to the public. All hazardous materials would be managed in accordance with federal, state, and local environmental regulations. Existing health and safety policies/procedures include employee training, proper protective equipment, engineering controls, monitoring, and internal assessments to help ensure compliance with applicable regulations and minimize health and safety risks. Other non-hazardous wastes would be disposed of in accordance with established guidelines. DOE does not anticipate any impacts to resources of concern due to the proposed activities of the project.