Modeling internship in improving catalyst lifetime and selectivity

Eric Jankowski, Boise State University

Usage Details

Some transition metal oxides make great catalysts, but transform into ineffective structures at the high temperatures where we wish to use them. This project focuses on understanding what chemicals can help prevent the catalysts from transforming without harming the catalyst's ability to perform the desired reactions. Molecular dynamics simulations of small organic molecules on oxide surfaces and within oxide pores will be used to discover the properties of such helpful chemicals.