Computational Study of bimetallic dimers for Electrochemical CO2 Reduction
Primary Submission Contact
Christopher C Morrissey
Faculty Sponsor Email Address
Arts and Sciences
Physics and Astronomy
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.
Morrissey, Christopher C.; He, Haiying; and Zapol, Peter, "Computational Study of bimetallic dimers for Electrochemical CO2 Reduction" (2017). Fall Interdisciplinary Research Symposium. 76.