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arXiv · 2511.05668

Single-Atom Photocatalysts on TiO2 : Insights from X-ray Absorption Spectroscopy

Yingying Li·David Morris·Peng Zhang
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Abstract

Surface modification of TiO2 with single-atom catalysts (SACs) is an effective strategy for enhancing photocatalytic efficiency. However, thorough characterization of SACs at the atomic scale remains challenging. X-ray absorption spectroscopy (XAS) offers unique advantages for the in-depth analysis of TiO2-supported SACs. By employing XAS, the local atomic structure, oxidation state, and electronic properties of the SACs, as well as the underlying photocatalytic mechanism, can be revealed. Herein, we present a short review on the application of XAS in studying TiO2-supported SACs. We first elucidate the key role of XAS in simultaneously probing the structure and electronic properties of monometallic SACs across different periods. Next, we discuss XAS studies of bimetallic SACs from the perspective of each constituent element and highlight the element-specific capabilities of XAS for analyzing multi-element SACs. Finally, we demonstrate how in situ XAS can effectively monitor structural and electronic property changes in SACs under real photocatalytic reaction conditions. Additionally, we provide practical suggestions for utilizing XAS more efficiently in the analysis of various SAC systems.

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Yingying Li, David Morris, Peng Zhang. 2025-11-07. Single-Atom Photocatalysts on TiO2 : Insights from X-ray Absorption Spectroscopy. https://doi.org/10.1002/cctc.202501365

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