Local-strain-induced CO₂ adsorption geometries and electrochemical reduction pathway shift.

ABSTRACT: Unravelling the influence of strain and geometric effects on the electrochemical reduction of carbon dioxide (CO₂RR) on Cu-based (or Pd-based) alloys remains challenging due to complex local microenvironment variables. Herein, we employ two PdCu alloys (nanoparticles and nanodendrites) to demonstrate how CO₂RR selectivity can shift from CO to HCOO^-. Despite sharing consistent phases, exposed crystal facets, and overall oxidative states, these alloys exhibit different local strain profiles due to their distinct geometries. By integrating experimental data, in-situ spectroscopy, and density functional theory calculations, we revealed that CO₂ prefers adsorption on tensile-strained areas with carbon-side geometry, following a *COOH-to-CO path

SUBMITTER: Liu C 

PROVIDER: S-EPMC11562823 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature