DOE OSTI · 2340227
A multiobjective closed-loop approach towards autonomous discovery of electrocatalysts for nitrogen reduction
Abstract
We propose a multiobjective scoring scheme toward closed-loop computational discovery of electrocatalysts. To demonstrate, we autonomously search over single-atom alloys for active, stable, and cost-effective systems for nitrogen reduction.
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Kavalsky, Lance, Hegde, Vinay I., Meredig, Bryce, Viswanathan, Venkatasubramanian. 2024-05-15. A multiobjective closed-loop approach towards autonomous discovery of electrocatalysts for nitrogen reduction. https://doi.org/10.1039/d3dd00244f
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