Size Dependent Product Selectivity for Shape-Controlled Ag/Cu Tandem Catalysts
Pranit Iyengar b, Manuel Kolb a, Federico Calle-Vallejo a, Raffaella Buonsanti b
a University of Barcelona, Carrer de Martí i Franquès, 1, Barcelona, Spain
b EPFL École Polytechnique Fédérale de Lausanne, Department of Chemical Sciences and Engineering, Switzerland, Switzerland
Proceedings of International Conference on Frontiers in Electrocatalytic Transformations (INTERECT)
València, Spain, 2021 November 22nd - 23rd
Organizers: Elena Mas Marzá and Ward van der Stam
Contributed talk, Manuel Kolb, presentation 024
Publication date: 10th November 2021

In previous research[1] it was found that a tandem catalyst, consisting of spherical Ag nanospheres combined with Cu(111)-faceted nano octahedra, shows a significantly enhanced selectivity for ethanol compared to pure Cu(111)-faceted nanoparticles. More recently[2,3], we investigated the facet-dependence of this selectivity change by evaluating the products and the reaction intermediate energy landscape of the CO2 reduction reaction on cubic Cu(100)-faceted nano particles. We find, experimentally, that the nano cubes show an even higher selectivity towards ethanol than the nano octahedra. Furthermore, using density functional theory (DFT), we show that the edges of the nano cubes are the active sites for the ethanol formation. Based on these findings we construct a semi-empirical model that allows us to map the product selectivity as a function of the size of the nano cubes. We then compare these predictions to the experimental size-dependent product selectivity results, and we find a strong agreement for the measured activities and the theoretical predictions.

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