Characterizing the Influence of the MoC Support for the Pt Single Atom Catalyst for the Water Gas Shift Reaction

Author

Kathryn McGee, Clemson University

Date of Award

5-2023

Document Type

Thesis

Department

Chemical and Biomolecular Engineering

Abstract

In this report, we looked at characterizing the effect of the support (MoC) for the water gas shift (WGS) environment. The single-atom catalyst analyzed was platinum supported in molybdenum carbide. The primary focus of this report was CO* because of the strong interest in using the WGS reaction to convert CO* contamination. All calculations were performed using the density functional theory (DFT) method. We analyzed the binding energies for the different adsorbates, with a special emphasis on CO and charges of the support. We compared our results to Pt/Al₂O₃ support. We observed that the support, specifically MoC participates in the WGS reaction.

Recommended Citation

McGee, Kathryn, "Characterizing the Influence of the MoC Support for the Pt Single Atom Catalyst for the Water Gas Shift Reaction" (2023). Honors College Theses. 25.
https://tigerprints.clemson.edu/hct/25