Mapping Local Environments in Single-Atom Catalysts
- 1Institute for Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir Prelog Weg 1, 8093 Zurich, Switzerland
- 2NCCR Catalysis, 8093 Zurich, Switzerland
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.
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BibTeX
@article{ruizferrando2026mapping,
title = {{Mapping Local Environments in Single-Atom Catalysts}},
author = {Andrea Ruiz-Ferrando and Sharon Mitchell and Javier Pérez-Ramírez},
journal = {Chemical Reviews},
year = {2026},
month = oct,
doi = {10.1021/acs.chemrev.6c00373},
url = {https://doi.org/10.1021/acs.chemrev.6c00373},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Mapping Local Environments in Single-Atom Catalysts
AU - Andrea Ruiz-Ferrando
AU - Sharon Mitchell
AU - Javier Pérez-Ramírez
PY - 2026
DA - 2026/10/16
JO - Chemical Reviews
DO - 10.1021/acs.chemrev.6c00373
UR - https://doi.org/10.1021/acs.chemrev.6c00373
AB - 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.
SN - 0009-2665
SN - 1520-6890
ER -