Designing single-atom catalysts: bridging metal–support interaction and adsorption energy optimization
Abstract
Single-atom catalysts (SACs) offer exceptional potential for the oxygen evolution reaction (OER), yet their practical application is hindered by an incomplete understanding of structure-activity relationships at the atomic scale. Traditional descriptors fail to fully explain the adsorption behavior of key oxygen intermediates, creating a fundamental gap in catalyst design. This review addresses this limitation by introducing a "structure-adsorption" framework that clarifies how metal-support interactions (MSIs) can be tuned through coordination engineering, such as spin configuration, axial coordination, and atomic distance. Our analysis demonstrates that optimal OER activity arises from a balance between orbital hybridization and electrostatic effects, providing clear design principles for next-generation SACs aimed at sustainable energy conversion.
Fields of Study & Subjects
Electrocatalysts for Energy Conversion
Catalytic Processes in Materials Science
Ammonia Synthesis and Nitrogen Reduction
Publication details
- Journal / source
- Chemical Science
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 17
- Issue
- 4
- Pages
- 2001–2027
- Publication date
- 1 January 2026
- Language
- EN