2026-04-14T03:50:43Zhttps://recercat.cat/oai/request

oai:recercat.cat:2117/1052622026-01-23T04:13:44Zcom_2072_1033col_2072_452950

Water-gas-shift over metal-free nanocrystalline ceria: an experimental and theoretical study Guild, Curtis J. Vovchok, Dimitriy Kriz, David A. Bruix, Albert Hammer, Bjork Llorca Piqué, Jordi Xu, Wenquian El-Sawy, Abdelhamid Biswas, Sourav Rodriguez, Jose A. Senanayake, S. D Suib, Steven L. Universitat Politècnica de Catalunya. Departament d'Enginyeria Química Universitat Politècnica de Catalunya. NEMEN - Nanoenginyeria de materials aplicats a l'energia Àrees temàtiques de la UPC::Enginyeria química Cerium oxides Hydrogen Fuel cells Ceria water-gas-shift hydrogen fuel cells metal-free catalysis Òxids Hidrogen Piles de combustible 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 Ce3+ and oxygen vacancies are responsible for the inherent bi-functionality of CO oxidation and dissociation of water required for facilitating the production of H-2. The degree of reduction of the ceria, specifically the (100) 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. Peer Reviewed Postprint (author's final draft) 2017-04-21 Article Guild, C., Vovchok, D., Kriz, D., Bruix, A., Hammer, B., Llorca, J., Xu, W., El-Sawy, A., Biswas, S., Rodriguez, J.A., Senanayake, S., Suib, S. Water-gas-shift over metal-free nanocrystalline ceria: an experimental and theoretical study. "ChemCatChem", 21 Abril 2017, vol. 9, núm. 8, p. 1373-1377. 1867-3880 https://hdl.handle.net/2117/105262 10.1002/cctc.201700081 eng http://onlinelibrary.wiley.com/doi/10.1002/cctc.201700081/abstract;jsessionid=EE77A99DF9A5D5D284E43832CC2C44F5.f03t02 Open Access 5 p. application/pdf