This Project Grant award for $249,993 was provided by the National Science Foundation's Mathematical and Physical Sciences (MPS) Federal Grant Program (CFDA 47.049) to the Rochester Institute of Technology (RIT). The funding supports a research project led by Professor Obioma Uche and her students that aims to evaluate the performance of transition metal sulfide catalysts for the production of ethylene from methane. The project will employ theoretical calculations and atomistic simulations to screen for effective catalysts and determine the underlying mechanisms for sulfur-assisted oxidative coupling of methane. The research could provide new insights on the kinetics and advantages of this alternative approach to ethylene production. The award also includes strategies to introduce students from underrepresented backgrounds to computational catalysis research through workshops and partnerships. This project leverages RIT's strengths in areas like advanced materials, sustainability, and STEM education to advance scientific knowledge and demonstrate potential industrial applications.
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