Shaodi Sun, Zhuang Wang, Siyu Liu, Daohua Sun
The treatment of industrial-sourced VOCs (Volatile Organic Compounds) stands as a pivotal research topic within the realm of environmental catalysis. The intricate composition of VOCs, especially the presence of H 2 O, frequently undermines the catalysts in the treatment systems. In this study, we have explored metastable catalysts that are regulated by different facets, which can activate H 2 O into active oxygen species required for the reaction. Surprisingly, the sample with the {101} facet exposed demonstrates superior performance compared to the sample with the high-energy {001} facet with H 2 O. In fact, the metastable structures constructed from diverse atomic arrangements are the key to breaking through this conventional understanding. Although the emergence of 18 OCO 18 indicates that all samples can achieve the H 2 O process, the Pt/TiO 2 -MS {101} sample, with its longer M–O bonds and more Pt–O meta –Ti, exhibits lower H 2 O dissociation energy and stronger lattice oxygen mobility. In contrast, the high-energy facets and the increased Pt 0 endow the Pt/TiO 2 -MS {001} sample with a stronger ability to activate O 2 . The distinct catalytic behaviors displayed by the metastable structures with different facets exposed offer fresh strategies for designing highly efficient catalysts.