Laura Nicole Marrlett
Chemical engineering
Hometown: Tempe, Arizona, United States
Graduation date: Spring 2024
Additional details: Transfer student
FURI | Spring 2024
Exploring Single-Atom Catalysts for the Electrochemical Conversion of Nitrate to Ammonia with DFT and Machine Learning
Anthropogenic activities, particularly within the agricultural sector, contribute significantly to the climate crisis and aquatic ecosystem strain. Fertilizers produced through the Haber-Bosch process emit undesirable greenhouse gasses and disrupt the nitrogen cycle, resulting in dead zones and eutrophication. To address this, this research focuses on studying the behavior of single-atom catalysts for nitrate reduction using Density Functional Theory (DFT), machine learning techniques, and kinetic Monte Carlo simulations. The goal of this study is to expand the archive of potential catalysts for nitrate reduction to include single-atom catalysts, thereby improving the economic viability of the electrochemical conversion of nitrate to valuable NH3 or benign N2.
Mentor: Christopher Muhich