Surface hydroxyl-induced Pt<sup>0</sup> clusters on TiO<sub>2</sub> for synergistic water gas shift catalysis.

Wang, Cong-Xiao; Wang, Wei-Wei; Fu, Xin-Pu; Liu, Hao-Xin; Wang, Feng Ryan; Jia, Chun-Jiang · Nat Commun · 2026

basic_science · Level V

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Abstract

The regulation of active site electronic structure is a central strategy for optimizing supported metal catalysts, yet achieving precise and comprehensive control remains challenging due to the complex nature of metal-support interactions. This work presents a practical and reproducible approach to this challenge through the deliberate regulation of surface hydroxyls on TiO<sub>2</sub> via a titanate-derived synthesis and controlled calcination, which correlates with improved water gas shift catalysis activity of Pt/TiO<sub>2</sub> catalyst. The mechanistic interpretation by multiple characterizations suggest that a higher hydroxyl concentration is associated with the formation of more reduced Pt species, which enhanced CO activation. Subsequently, hydroxyl groups can be directly consumed by CO, which shows a correlation with the formation of oxygen vacancies. Catalysts with a higher density of oxygen vacancies exhibit stronger H<sub>2</sub>O dissociation capability. This work develops hydroxyl-content control as a viable strategy for catalyst optimization, supported by a mechanistic framework that rationalizes its impact on both metal electronic structure and oxide surface chemistry.