Interfacial Chemistry in the Electrocatalytic Hydrogenation of CO₂ over C-Supported Cu-Based Systems.

ABSTRACT: Operando soft and hard X-ray spectroscopic techniques were used in combination with plane-wave density functional theory (DFT) simulations to rationalize the enhanced activities of Zn-containing Cu nanostructured electrocatalysts in the electrocatalytic CO₂ hydrogenation reaction. We show that at a potential for CO₂ hydrogenation, Zn is alloyed with Cu in the bulk of the nanoparticles with no metallic Zn segregated; at the interface, low reducible Cu(I)-O species are consumed. Additional spectroscopic features are observed, which are identified as various surface Cu(I) ligated species; these respond to the potential, revealing characteristic interfacial dynamics. Similar behavior was observed for the Fe-Cu system in its active state, confirming the general validity of

SUBMITTER: Gianolio D 

PROVIDER: S-EPMC10167656 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature