Title

Computational Study of bimetallic dimers for Electrochemical CO2 Reduction

Authors

Christopher C. Morrissey, Valparaiso UniversityFollow
Haiying He, Valparaiso University
Peter Zapol, Argonne National LaboratoryFollow

Primary Submission Contact

Christopher C Morrissey

Faculty Sponsor

Haiying He

Faculty Sponsor Email Address

haiying.he@valpo.edu

College

Arts and Sciences

Department/Program

Physics and Astronomy

Document Type

Poster Presentation

Date

Fall 10-27-2017

Abstract

CO₂ reduction requires a large energy input due to the high thermodynamic stability of CO₂. As a result, the challenge in CO₂ reduction is to find highly efficient, low costing catalysts. Recently, subnanometer metal clusters have shown promise as catalysts due to their unique electronic and catalytic properties. In this study, we have used density functional theory to study bimetallic dimers anchored on a defective graphene sheet for CO₂ reduction. Better performance were identified for some clusters. The results of this study will inform further experimental research in CO₂ reduction using subnanometer metal clusters.

Biographical Information about Author(s)

Christopher Morrissey is an Adult Scholar working currently applying to graduate school. Over the summer, he worked at Argonne National Laboratory with Prof. Haiying He, a physics professor at Valparaiso University, through the Visiting Faculty Program from the Department of Energy. The faculty sponsor for the project at Argonne was Dr. Peter Zapol. The project at Argonne is being continued through the fall semester of 2017.

Recommended Citation

Morrissey, Christopher C.; He, Haiying; and Zapol, Peter, "Computational Study of bimetallic dimers for Electrochemical CO2 Reduction" (2017). Fall Interdisciplinary Research Symposium. 76.
https://scholar.valpo.edu/fires/76