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Tuning Electrochemical CO₂ Reduction through Variation in Composition of the Cu–Pd Bimetallic Catalyst: Experimental and Theoretical Investigations

Sumit Gupta, Debarati Mukherjee, Tridip Das, William A. Goddard III, Debasish Kuila

2025J. Phys. Chem. Lett., 16(8), 1894-18982cited

Abstract

In the context of global warming, electrochemical reduction of CO2 (eCO2RR) offers a promising route to achieve net-zero carbon emissions by producing value-added products. This study investigates copper-palladium (Cu-Pd) bimetallic catalysts for the eCO2RR, focusing on product distribution by varying catalyst composition. Cu-Pd catalysts were synthesized and characterized for crystallinity, structure, texture, and morphology. Reactions conducted with Cu-Pd molar ratios (1:1, 2:1, 1:2, 3:1) at -0.6 to -1.6 V vs RHE for 1 h yielded diverse products. A 1:1 Cu-Pd ratio achieved 91% Faradaic efficiency (FE) for formate at -1.6 V, while 2:1 and 1:2 ratios produced acetate with FEs of 58% and 35% at -1.4 V. A 3:1 ratio led to methanol with 38% FE at -1.6 V. XPS analysis revealed the metal oxide/metal interface suppressed hydrogen evolution while facilitating reaction intermediates. Quantum mechanical calculations corroborated experimental results, highlighting potential-dependent product selectivity.

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Cite this publication
Gupta, S., Mukherjee, D., Das, T., III, W. A. G., & Kuila, D. (2025). Tuning Electrochemical CO₂ Reduction through Variation in Composition of the Cu–Pd Bimetallic Catalyst: Experimental and Theoretical Investigations. *J. Phys. Chem. Lett.*, *16*(8), 1894-1898. https://doi.org/10.1021/acs.jpclett.4c03408