Machine-learning analysis of X-ray data picks out key catalytic properties

5 years ago
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https://www.sciencedaily.com/releases/2019/10/191022174410.htm

"Improving our ability to convert CO2 to methane would 'kill two birds with one stone' by making a sustainable non-fossil-fuel energy source that can be easily stored and transported while reducing carbon emissions," said Anatoly Frenkel, a chemist with a joint appointment at the U.S. Department of Energy's Brookhaven National Laboratory and Stony Brook University.

Frenkel's group has been developing a machine-learning approach to extract catalytic properties from x-ray signatures of catalysts collected as chemicals are transformed in reactions. The current analysis is described in a paper just published in the Journal of Chemical Physics, based on x-ray data collected at DOE's Argonne National Laboratory.