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Water‐Gas‐Shift over Metal‐Free Nanocrystalline Ceria: An Experimental and Theoretical Study
Author(s) -
Guild Curtis J.,
Vovchok Dimitriy,
Kriz David A.,
Bruix Albert,
Hammer Bjørk,
Llorca Jordi,
Xu Wenqian,
ElSawy Abdelhamid,
Biswas Sourav,
Rodriguez Jose A.,
Senanayake Sanjaya D.,
Suib Steven L.
Publication year - 2017
Publication title -
chemcatchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.497
H-Index - 106
eISSN - 1867-3899
pISSN - 1867-3880
DOI - 10.1002/cctc.201700081
Subject(s) - water gas shift reaction , catalysis , nanocrystalline material , metal , dissociation (chemistry) , oxide , chemical engineering , mesoporous material , chemistry , reagent , materials science , hydrogen , redox , inorganic chemistry , nanotechnology , organic chemistry , engineering
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 H 2 . 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.