The non-innocent role of cerium oxide in heterogeneous catalysis: A theoretical perspective

•Ceria-based experimental and theoretical model catalyst studies are reviewed.•CeO2(1 1 1) alone, VOx/CeO2(1 1 1), and Ni/CeO2(1 1 1) are considered.•The role of ceria in the catalytic activity is discussed.•The support effect is discussed.

Ceria (CeO2) is the most significant of the oxides of rare-earth elements in industrial catalysis with its reducibility being essential to its functionality in catalytic applications. The complexity of real (powder) catalysts hinders the fundamental understanding of how they work. Specifically, the role of ceria in the catalytic activity of ceria-based systems is still not fully understood. To elucidate it, well-defined ceria-based model catalysts are prepared experimentally or created theoretically and studied. The purpose of this brief review is to discuss recent results on model ceria-based catalysts using CeO2(1 1 1), VOx/CeO2(1 1 1), and Ni/CeO2(1 1 1) as examples of catalysts for partial alkyne hydrogenation, oxidative dehydrogenation, and hydrogen production, respectively. The emphasis is here put on theoretical studies and special attention is given to the effects of ceria as catalyst support.

Graphical abstractFigure optionsDownload full-size imageDownload high-quality image (185 K)Download as PowerPoint slide