Integrating High Throughput Experimentation with Theory and Computation for the Discovery of Solar Fuels Materials

Wednesday January 18, 2017 4:00 PM

Integrating High Throughput Experimentation with Theory and Computation for the Discovery of Solar Fuels Materials

Speaker: John M. Gregoire , Joint Center for Artificial Photosynthesis (JCAP) , Caltech
Location: Spalding Laboratory 106 (Hartley Memorial Seminar Room)

The High Throughput Experimentation (HTE) group within the Joint Center for Artificial Photosynthesis (JCAP, http://solarfuelshub.org/) performs accelerated discovery of earth-abundant materials for solar fuels applications. For a given discovery project, theory and computational science are integrated with a suite of HTE synthesis, screening and characterization methods to form a materials discovery pipeline. Example pipeline implementations and the ensuing discoveries will be presented for (photo)electrocatalysis of the oxygen evolution reaction where new classes of dark electrocatalysts, photoelectrocatalysts and integrated photoanode assemblies have been discovered.  Through compilation and inspection of these discoveries, relationships among composition, structure, electronic structure, stability, photoactivity, band gap energy, etc. are being identified, providing a deeper understanding of the known materials and enabling the design of new materials.

Series: Materials Research Lecture Series
Contact: Jennifer Blankenship at 626-395-8124 jennifer@caltech.edu
Department of Applied Physics and Materials Science