41 - High-throughput screening for core-shell nanoparticles for chemical catalysis
University of Texas at Austin
Hydrogen fuel cell technology is one possible solution to alleviate our dependence on fossil fuels while simultaneously reducing our green house gas emissions. One limiting factor to the adoption of this technology is that it depends on platinum catalysts, which are prohibitively rare and expensive. In order to identify a suitable replacement we have adopted a high-throughput computational approach supplemented with experimental validation. Thus far, 38 and 79 atom transition metal core@shell nanoparticles have been screened for their catalytic activity and suitable candidates have been screened for their stability. Now, our theoretical predictions will be by experiment.