Effects of Crystal Lattice Deformation on Catalytic Activities

Deformations of hierarchical structures at the atomic scale, especially long-range ones, can significantly enhance their functional behavior, such as catalytic activity. Metastable states or grain boundaries during the synthesis and processing of nanomaterials can introduce and control deformations (strains) in crystal lattices. We design the deformations in the crystal lattice to enhance the catalytic functionality of catalysts, such as TiO₂ and platinum-group-based metals, by controlling their synthesis processes of phase transformation and particle aggregation. For example, TiO₂ polymorphs have distinct properties that have been widely employed in various applications. It is well known that these polymorphs can transform into more stable phases, such as from TiO₂-B to anatase. Here, based on results from semi-in-situ transmission electron microscopy, X-ray atomic pair distribution function, and density functional theory, we will investigate the effects of lattice deformation in crystals on the catalytic activities and their controlling factors. We seek to control deformations in supporting materials and their effect on catalytic materials to uniquely tailor functionalities. These findings suggest that lattice deformations can be designed to advance new functions.