Mechanistic Insights into the <i>In Situ</i> Restructuring of Coordinated Copper in Postmetalated MOFs for Photocatalysis.

ABSTRACT: Metal-organic frameworks (MOFs) offer a powerful platform for the rational design of photocatalysts, where systematic structural tuning can be employed for efficient solar-to-chemical energy conversion. Here, we establish a direct structure-activity relationship in a series of copper-metalated mixed-linker UiO-66 derivatives, UiO-66(COOH)_x-Cu (0 ≤ x ≤ 2), incorporating increasing densities of free carboxylate groups in their MOF backbone. These functionalities determine both Cu coordination and in situ restructuring under the photocatalytic dehydrogenation of formic acid (FAc). Operando Fourier-transform infrared (FTIR) and X-ray absorption spectroscopy (XAS) reveal that the -COOH content dictates the evolution of the surface of the framework and Cu s

SUBMITTER: Abou Khalil Z 

PROVIDER: S-EPMC12766680 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature