Water‐Gas‐Shift over Metal‐Free Nanocrystalline Ceria: An Experimental and Theoretical Study. Issue 8 (27th March 2017)

• Record Type: Journal Article
• Authors: Guild, Curtis J.; Vovchok, Dimitriy; Kriz, David A.; Bruix, Albert; Hammer, Bjørk; Llorca, Jordi; Xu, Wenqian; El‐Sawy, Abdelhamid; Biswas, Sourav; Rodriguez, Jose A.; Senanayake, Sanjaya D.; Suib, Steven L.
• Is Part Of: ChemCatChem. Volume 9:Issue 8(2017)
• Page Start: 1373
• Page End: 1377
• Publication Date: 2017-03-27
• Subjects: Ceria -- water-gas-shift -- hydrogen -- fuel cells -- metal-free catalysis; Catalysis -- Periodicals; 541.39505
• DOI: 10.1002/cctc.201700081
• Languages: English
• ISSNs: 1867-3880

Abstract

Abstract: A tandem experimental and theoretical investigation of a mesoporous ceria catalyst reveals the properties of the metal oxide are conducive for activity typically ascribed to metals, suggesting reduced Ce 3+ and oxygen vacancies are responsible for the inherent bi‐functionality of CO oxidation and dissociation of water required for facilitating the production of H2 . The degree of reduction of the ceria, specifically the (1 0 0) face, is found to significantly influence the binding of reagents, suggesting reduced surfaces harbor the necessary reactive sites. The metal‐free catalysis of the reaction is significant for catalyst design considerations, and the suite of in situ analyses provides a comprehensive study of the dynamic nature of the high surface area catalyst system. This study postulates feasible improvements in catalytic activity may redirect the purpose of the water‐gas shift reaction from CO purification to primary hydrogen production. Abstract : Are you cerias? Combining experimental and theoretical investigations reavealed a mechanistic view of the water‐gas shift reaction over nanocrystalline ceria. The degree of reduction of the ceria, specifically the (1 0 0) face, is found to significantly influence the binding of reagents, suggesting reduced surfaces harbor the necessary reactive sites.