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Article Dans Une Revue Proceedings of the National Academy of Sciences of the United States of America Année : 2019

Theory and experiments join forces to characterize the electrocatalytic interface

Résumé

Electrocatalysis is gaining impetus as a key technology in fuel cells and for the medium-term energy storage in the context of intermittent, renewable energy sources such as wind and solar power. Furthermore, electrocatalysis promises to convert rather inert molecules such as CO 2 and N 2 into reduced products such as CO and ammonia under relatively mild conditions (1, 2). Harnessing the full power of electrocatal-ysis is, however, hampered by a lack of understanding of the governing physical and chemical processes at the metal-electrolyte interface. In PNAS, Cheng et al. (3) bring key insight to the characterization of reaction intermediates during CO 2 electroreduction via first-principles molecular dynamics modeling. This reaction is timely and has, over the last few years, served as the playground for advanced atomistic modeling of elec-trocatalysis (4-9). The general lack of understanding is due to the inherent complexity of the electrified interface and its characterization. The characterization is difficult since most metal-liquid interfaces are amorphous. Therefore, no long-range ordering can be detected. Experimentally , the characterizations heavily rely on spectroscopy that provides average molecular orientations [infrared (IR) and Raman] or elemental composition and oxidation states (X-ray photoelectron, X-ray absorption near-edge, etc.) (10
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hal-02125531 , version 1 (06-08-2023)

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Stephan N. Steinmann, Zi-Yang Wei, Philippe Sautet. Theory and experiments join forces to characterize the electrocatalytic interface. Proceedings of the National Academy of Sciences of the United States of America, 2019, 116 (16), pp.7611-7613. ⟨10.1073/pnas.1903412116⟩. ⟨hal-02125531⟩
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