Abstract
This computational research project examined graphene-supported nickel cluster catalysts for propane dehydrogenation using density functional theory (DFT) methods and VASP modeling. Conducted through collaboration between Valparaiso University and Ivy Tech Community College under the Indiana Space Grant Consortium, the study investigated reaction pathways, activation energies, and the effects of nitrogen doping on catalyst behavior. The project explored alternative catalytic systems to platinum-based propane dehydrogenation processes used in industrial plastics production.
Research Themes
* Computational chemistry
* Density functional theory (DFT)
* Catalysis research Materials science
* Graphene-supported catalysts
* Propane dehydrogenation
* VASP modeling
* Indiana Space Grant research
Research Context
This project was completed during undergraduate research involvement associated with the Indiana Space Grant Consortium and Valparaiso University. The work introduced computational modeling approaches used in materials science and reaction pathway analysis, contributing to early interdisciplinary research experience spanning chemistry, physics, and computational science.
Organizations Involved
* Valparaiso University
* Ivy Tech Community College