The National Science Foundation (NSF) has awarded a $535,830 Project Grant under its Mathematical and Physical Sciences (CFDA 47.049) program to Professor Charles Musgrave and his research team at the University of Colorado-Boulder. The goal of this 3-year grant, with a period of performance from September 1, 2024 to August 31, 2027, is to accelerate the discovery and design of novel electrocatalysts for carbon-free fertilizer synthesis using renewable energy. The researchers will leverage computational quantum chemical methods and machine learning to explore tens of thousands of candidate catalyst materials, with the aim of breaking the scaling relations that have constrained electrocatalytic processes for ammonia, ammonium nitrate, and nitrate reduction. This research has the potential to significantly impact fertilizer production and reduce nitrate water pollution while training the future workforce in electrocatalysis. No sub awards are planned under this grant.
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