Work

Mapping Local Environments in Single-Atom Catalysts

Year: 2026

Type: review

Abstract: Single-atom catalysts (SACs) offer exceptional structural resolution for investigating how local environments govern catalytic behavior and, ultimately, for controlling these effects through catalyst design. Yet, atomic dispersion does not imply a single or fully defined catalytic environment. The behavior of atomically dispersed active centers is shaped by a hierarchical local environment comprising persistent and transient contributions, while also being influenced by an extended reaction environment that intersects with the local environment in controlling reactivity and can become integrated into it. Establishing these boundaries and understanding how these contributions evolve and interact are central challenges in the interpretation and design of SACs. Here, we critically examine how local environments are generated and controlled, experimentally and theoretically resolved across spatial and temporal scales, transformed from synthesis through operation and deactivation, and linked to catalytic performance through structural, energetic, and electronic descriptors. By integrating aspects that are often considered separately and highlighting those that remain insufficiently addressed, we provide a roadmap toward the predictive, environment-driven design of SACs and a deeper understanding of catalytic phenomena.

Source: Chemical Reviews

DOI: 10.1021/acs.chemrev.6c00373

Authors: Andrea Ruiz-Ferrando, Sharon Mitchell, Javier Pérez-Ramírez

Institutions: ETH Zurich, NCCR Catalysis

Language: English

Topic: Catalytic Processes in Materials Science

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,500

Funder: NCCR Catalysis