Title

Computational Study of bimetallic dimers for Electrochemical CO2 Reduction*

Authors

Christopher Morrissey, Valparaiso University
Haiying He, Valparaiso University
Peter Zapol, Argonne National Laboratory

Document Type

Conference Proceeding

Publication Date

11-11-2017

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 CO2reduction using subnanometer metal clusters.

*Christopher Morrissey and Haiying He would like to acknowledge the Visiting Faculty Program from the Department of Energy and funding from the Indiana Space Grant Consortium

Recommended Citation

Morrissey, Christopher; He, Haiying; and Zapol, Peter, "Computational Study of bimetallic dimers for Electrochemical CO2 Reduction*" (2017). Physics and Astronomy Faculty Presentations. 10.
https://scholar.valpo.edu/phys_astro_fac_presentations/10