Probing Coordination Number of Single‐Atom Catalysts by d‐Band Center‐Regulated Luminescence

Abstract It is essential to probe the coordination number (CN) because it is a crucial factor to ensure the catalytic capability of single‐atom catalysts (SACs). Currently, synchrotron X‐ray absorption spectroscopy (XAS) is widely used to measure the CN. However, the scarcity of synchrotron X‐ray source and complicated data analysis restrict its wide applications in determining the CN of SACs. In this contribution, we have developed a d‐ band center‐regulated acetone cataluminescence (CTL) probe for a rapid screening of the CN of Pt‐SACs. It is disclosed that the CN‐triggered CTL is attributed to the fact that the increased CN could induce the downward shift of d ‐band center position, which assists the acetone adsorption and promotes the subsequent catalytic reaction. In addition, the universality of the proposed acetone‐CTL probe is verified by determining the CN of Fe‐SACs. This work has opened a new avenue for exploring an alternative to synchrotron XAS for the determination of CN of SACs and even conventional metal catalysts through d ‐band center‐regulated CTL.