Coordination engineering in single-atom covalent organic framework photocatalysts for solar-driven nitrogen fixation
Abstract
), achieving competitive values of -0.59 V, -0.42 V, and -0.76 V for Fe@NpdiCOF, Co@3NpdiCOF, and Ni@2NpdiCOF, respectively, while thermodynamically suppressing the competing hydrogen evolution reaction. Furthermore, this heteroatom doping strategy induces a synergistic optimization of photophysical properties, manifesting as a pronounced spectral blue shift and moderate band-gap narrowing to enhance visible-light harvesting. These insights establish ligand modulation as a robust design principle to concurrently optimize reaction energetics and optical properties for efficient solar-driven nitrogen fixation.
Fields of Study & Subjects
Ammonia Synthesis and Nitrogen Reduction
Advanced Photocatalysis Techniques
Electrocatalysts for Energy Conversion
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 14
- Pages
- 8981–8991
- Publication date
- 1 January 2026
- Language
- EN