Theoretical electrochemistry: The key role of less-stable intermediates

Theoretical electrochemistry 1: The key role of less-stable intermediates

Author(s): Pablo Lozano Reis, Kai S. Exner

Publication: Bunsen-Magazin 2025, 5, 195-197

Publisher: Deutsche Bunsen-Gesellschaft für physikalische Chemie e.V., Frankfurt

Language: English

DOI: 10.26125/x8h7-8s39

Abstract: Theoretical electrochemistry provides an atomistic understanding of the elementary processes occurring at the electrified solid/liquid interface, although the modeling of these processes is accompanied with several challenges. While traditional approaches consider reaction intermediates only in their most stable state, we reveal the importance of including less-stable reaction intermediates into the analysis of the CO2 reduction reaction on MXenes to derive activity and selectivity trends.

Cite this:  P. Lozano Reis, K.S. Exner, Bunsen-Magazin 2025, 5, 195-197, DOI: 10.26125/x8h7-8s39

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