Hydrodenitrogenation (HDN), the process of through which nitrogen groups are removed from organic molecules present in petroleum and coal feedstocks, is a preliminary step in petroleum refinement. With shifts towards renewable biomass feedstocks, which may be harvested free of sulfur impurities, HDN optimization could become an increasingly relevant industrial challenge. HDN proceeds with greater activity and long chain selectivity on molybdenum nitride powders than conventional Co-Mo hydrotreatment catalysts. δ-MoN is suggested to be the most active phase, but more thorough experimental as well as computational studies are needed to better understand the correlation of activity and atomic structure of catalysts.<br/><br/>Using Density Functional Theory (DFT) and Ultra-High Vacuum surface science techniques, we are actively screening/developing different phase-pure MoN thin-films as model catalysts to isolate and explore reaction pathways associated with hydrodenitrogenation of simple nitrogen-containing aromatic molecules. This will aid us towards reaching to the subtle connection between properties at the atomic level with desired catalytic properties.

Molybdenum nitride thin-film development and screening

2019 Spring National Meeting

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.