dc.creator | Plata Ramos, José Javier | es |
dc.creator | Romero Sarria, Francisca | es |
dc.creator | Amaya Suárez, Javier | es |
dc.creator | Márquez Cruz, Antonio Marcial | es |
dc.creator | Laguna Espitia, Oscar Hernando | es |
dc.creator | Odriozola Gordón, José Antonio | es |
dc.creator | Fernández Sanz, Javier | es |
dc.date.accessioned | 2018-09-05T10:07:22Z | |
dc.date.available | 2018-09-05T10:07:22Z | |
dc.date.issued | 2018 | |
dc.identifier.citation | Plata Ramos, J.J., Romero Sarria, F., Amaya Suárez, J., Márquez Cruz, A.M., Laguna Espitia, O.H., Odriozola Gordón, J.A. y Fernández Sanz, J. (2018). Improving the activity of gold nanoparticles for the water-gas shift reaction using TiO2–Y2O3: an example of catalyst design. Physical Chemistry Chemical Physics, 20, 22076-22083. | |
dc.identifier.issn | 1463-9084 | es |
dc.identifier.uri | https://hdl.handle.net/11441/78332 | |
dc.description.abstract | In the last ten years, there has been an acceleration in the pace at which new catalysts for the watergas
shift reaction are designed and synthesized. Pt-based catalysts remain the best solution when only
activity is considered. However, cost, operation temperature, and deactivation phenomena are important
variables when these catalysts are scaled in industry. Here, a new catalyst, Au/TiO2–Y2O3, is presented
as an alternative to the less selective Pt/oxide systems. Experimental and theoretical techniques are
combined to design, synthesize, characterize and analyze the performance of this system. The mixed
oxide demonstrates a synergistic effect, improving the activity of the catalyst not only at large-to-medium
temperatures but also at low temperatures. This effect is related to the homogeneous dispersion of the
vacancies that act both as nucleation centers for smaller and more active gold nanoparticles and as
dissociation sites for water molecules. The calculated reaction path points to carboxyl formation as the
rate-limiting step with an activation energy of 6.9 kcal mol 1, which is in quantitative agreement with
experimental measurements and, to the best of our knowledge, it is the lowest activation energy
reported for the water-gas shift reaction. This discovery demonstrates the importance of combining
experimental and theoretical techniques to model and understand catalytic processes and opens the
door to new improvements to reduce the operating temperature and the deactivation of the catalyst. | es |
dc.description.sponsorship | Ministerio de Economía y Competitividad (CTQ2015-64669-P and ENE2015-66975- C3-2-R) | es |
dc.description.sponsorship | Junta de Andalucía (FQM-132 and TEP-106) | es |
dc.description.sponsorship | European Union (HT-PHOTO-DB No. 752608) | es |
dc.format | application/pdf | es |
dc.language.iso | eng | es |
dc.publisher | The Royal Society of Chemistry | es |
dc.relation.ispartof | Physical Chemistry Chemical Physics, 20, 22076-22083. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.title | Improving the activity of gold nanoparticles for the water-gas shift reaction using TiO2–Y2O3: an example of catalyst design | es |
dc.type | info:eu-repo/semantics/article | es |
dcterms.identifier | https://ror.org/03yxnpp24 | |
dc.type.version | info:eu-repo/semantics/submittedVersion | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Química Física | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Química Inorgánica | es |
dc.contributor.affiliation | Instituto de Ciencias de los Materiales | es |
dc.relation.projectID | CTQ2015-64669-P | es |
dc.relation.projectID | ENE2015-66975- C3-2-R | es |
dc.relation.projectID | FQM-132 | es |
dc.relation.projectID | TEP-106 | es |
dc.relation.projectID | HT-PHOTO-DB No. 752608 | es |
dc.identifier.doi | 10.1039/c8cp03706j | es |
idus.format.extent | 8 | es |
dc.journaltitle | Physical Chemistry Chemical Physics | es |
dc.publication.volumen | 20 | es |
dc.publication.initialPage | 22076 | es |
dc.publication.endPage | 22083 | es |