Philosophical Magazine Letters

Advances in Single-Atom Catalysis: From Atomic Precision to Real-World Applications

Single-atom catalysts (SACs) have emerged as a transformative class of catalytic materials, offering unprecedented activity, selectivity, and atom-efficiency. Their unique electronic structures, tunable coordination environments, and well-defined active sites make SACs ideal platforms for exploring fundamental catalytic mechanisms and designing next-generation catalysts.

The development and optimization of SACs increasingly rely on the synergetic integration of computational modeling and advanced experimental techniques. Density functional theory (DFT), machine learning, operando spectroscopy, and aberration-corrected microscopy now allow researchers to identify active sites, track dynamic structural changes, and establish structure–activity relationships with atomic precision.

This Article Collection aims to highlight recent advances in single-atom and atomically dispersed catalysis, with a particular emphasis on studies that combine theoretical and experimental methodologies. By providing a unified platform, the Collection seeks to promote interdisciplinary collaboration and accelerate progress toward practical applications in energy, environment, and chemical synthesis.

Topics of Interest

• Synthesis and advanced characterization of SACs
• Computational modeling (DFT, ML, microkinetics) of SACs
• Reaction mechanisms and structure–activity relationships
• Applications of SACs in electrocatalysis, photocatalysis, thermocatalysis, and energy conversion

Dr. Mohamed Bououdina has a broad background and extensive expertise in Physics, Materials Science & Engineering, Nanotechnology, and Energy, specifically in materials fabrication, analytical and spectroscopic characterizations, and functional properties for cutting-edge technologies. His research interests include energy (like hydrogen production, storage, & applications), CO₂ capture & conversion, water treatment, biowaste transformation, biomedical field, and so on. He published over 600 papers in ISI journals, more than 40 book chapters, and two indexed books.

All manuscripts submitted to this Article Collection will undergo desk assessment and peer-review as part of our standard editorial process. Guest Advisors will not be involved in peer-reviewing manuscripts unless they are an existing member of the Editorial Board.

Please review the journal scope and author submission instructions prior to submitting a manuscript.

The deadline for submitting manuscripts is 9 September 2026.

Please contact Agnes Zhou at [email protected] with any queries regarding this Article Collection.

For Taylor and Francis Journals: Please be sure to select the appropriate Article Collection from the drop-down menu in the submission system.