Electrochemical Reduction of CO2 Using Silver-Nickel Clusters as Catalysts
Primary Submission Contact
Dr. Haiying He
Faculty Sponsor Email Address
Arts and Sciences
Department of Physics and Astronomy
In this study, nine different silver-nickel clusters were evaluated as catalysts for the electrochemical reduction of carbon dioxide. A computational approach was used to determine properties of the clusters when supported on single-vacancy graphene. The interactions of these supported clusters with the various organic molecules present in the critical steps of CO2 reduction were then examined. By comparing the free energies of the different systems according to the hydrogen electrode model, the energies of different steps were compared in order to determine the rate-limiting step and the required overpotential for the reaction. Results indicate that Ag3 and Ag2Ni work best as catalysts. Additionally, the results show distinct trends amongst the clusters, which may be useful for identifying other potential candidates for better catalysts.
Edwards, Andrew, "Electrochemical Reduction of CO2 Using Silver-Nickel Clusters as Catalysts" (2018). Fall Interdisciplinary Research Symposium. 95.