This article discusses efforts by chemical engineering researchers Drs. Joseph Kwon and Mark Barteau to develop greener ammonia production methods, aiming to reduce greenhouse gas (GHG) emissions from traditional processes like the Haber-Bosch method. Their work focuses on using electrocatalysts for nitrogen reduction reactions (NRR), which would allow ammonia production at lower temperatures and pressures, reducing energy use. By employing computational tools like density functional theory (DFT) and kinetic Monte Carlo (kMC) simulations, they aim to predict and optimize catalyst performance before lab testing, accelerating sustainable ammonia production.
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