Heterogeneous catalysis involves the transient adsorption of reactants on the catalyst surface, rearrangement of chemical bonds, and desorption of products. Throughout these steps, the surface properties markedly govern interactions between the catalyst surface and sorbate molecules (i.e., reactants, intermediates, and products), ultimately impacting catalytic activity and selectivity. Metal oxides are an important group of heterogeneous catalysts, mainly functioning for oxidation and dehydrogenation reactions. Due to their crystalline nature, metal oxides consist of the periodic arrangement of cations and anions, and their surface structure can be significantly altered by the crystallographic cutting direction. Consequently, the exposed planes exhibit distinct electronic properties (e.g., surface charge) and geometric properties (e.g., atomic arrangement, coordination structure, interatomic distance, and defects) depending on the terminating facets. This understanding highlights the potential of shaping crystal morphology as an effective method for tuning catalytic properties. In this presentation, we will describe our studies focused on better understanding how morphology influences the surface and catalytic properties through exemplary metal oxides and catalytic reactions for the purpose of establishing more robust structure-performance relationships.
