Proceedings of MATSUS Spring 2024 Conference (MATSUS24)
DOI: https://doi.org/10.29363/nanoge.matsus.2024.075
Publication date: 18th December 2023
In this talk, I will present some recent results from my group on CO2 and CO electroreduction on transition metals and compare them to NO electroreduction.
First, I will show that the choice of CO2 or CO as feedstocks for electrolysis ought to be made depending on the morphology of Cu electrodes, as the structural sensitivity of those two species is markedly different [1].
Moreover, I will discuss pathway bifurcation in the CO2 reduction pathway to CH4 upon hydrogenation of adsorbed CO in two different ways: from a joint experimental-computational perspective on single-crystal and polycrystalline Cu electrodes [2], and from a purely computational perspective on various transition metal electrodes [3].
Finally, I will introduce the concept of “catalytic matrix” [3, 4], a computational tool that will help me illustrate the overall similarities and differences between CO hydrogenation and NO hydrogenation on a wide number of active sites at transition metal electrodes [4, 5].
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