The Impact of Surface Stress Release on Catalyst Design

Catalysis research has taken a significant step forward with the recent collaboration between researchers from the United States, China, and the Netherlands. Dr. Zhenhua Zeng and Professor Jeffrey Greeley from the Davidson School of Chemical Engineering have made strides in exploring active sites and catalyst design, offering a fresh perspective on catalytic reactivity and active site studies.

Reevaluating Active Sites

The usage of heterogeneous catalysts in chemical reactions is widespread, with a common understanding that high catalytic activity only occurs on specific surface sites. However, the current method of classifying active sites through distinct surface motifs like steps and terraces oversimplifies the complexity of the identification process. This oversimplification can lead to misidentification of active sites and result in incorrect predictions of catalytic activity, hindering opportunities for catalyst design, as highlighted by Professor Greeley.

The article “Site-specific reactivity of stepped Pt surfaces driven by stress release” published in Nature presents a new perspective on active sites. The research reveals that atomic site-specific reactivity is driven by surface stress release, a factor that has been overlooked in the current classification process. This study uncovers a new class of active sites, characterized by diverse surface structures and extended stress and strain fields in the catalyst surface, showcasing the potential for exciting developments in catalyst design.

Implications for Catalyst Design

By using stepped Pt(111) surfaces and the oxygen reduction reaction (ORR) in fuel cells as examples, the research demonstrates how surface stress release leads to inhomogeneous strain fields, resulting in distinct electronic structures and reactivity for terrace atoms with identical local coordination. This discovery challenges the conventional assumption of uniform reactivity among atomic sites, highlighting the importance of considering even minor imperfections in catalysis design.

The findings from this research provide a new lens through which researchers can view catalytically active atomic sites and the principles guiding catalyst design. The collaboration between computational modeling and experimental research has shed light on the role of local surface strain in influencing chemical reactivity, offering unique insights into surface electrocatalysis.

The impact of surface stress release on catalyst design cannot be understated. The research led by Dr. Zhenhua Zeng and Professor Jeffrey Greeley has opened up new possibilities for catalyst development, challenging traditional views on active sites and reactivity. By considering the influence of stress release on surface structures, researchers can explore novel avenues for improving catalyst performance in fuel cells and related electrochemical devices. This collaborative effort exemplifies the power of interdisciplinary research in advancing the field of catalysis.