Mechanistic origin of charge separation and enhanced photocatalytic activity in D–π–A-functionalized UiO-66-NH 2 MOFs
Abstract
. All donor units introduce new occupied states near the valence-band edge, enabling charge separation through dye-to-framework electron transfer. Among them, the anisole-modified material stands out for facilitating efficient intersystem crossing into a triplet charge-transfer configuration that suppresses fast recombination and yields long-lived charge carriers detectable by photo-EPR. Meanwhile, bulkier donors such as DPA and NNDMA - despite their stronger electron-donating character - also tend to introduce defect-associated trap states. These results underscore the interplay between donor-induced electronic-structure changes, triplet pathways, and defect-mediated recombination, offering a mechanistic basis for tuning photocatalytic response in D-π-A-modified MOFs.
Fields of Study & Subjects
Metal-Organic Frameworks: Synthesis and Applications
Advanced Photocatalysis Techniques
Covalent Organic Framework Applications
Publication details
- Journal / source
- Materials Horizons
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 13
- Issue
- 11
- Pages
- 5465–5472
- Publication date
- 1 January 2026
- Language
- EN