Mostrar el registro sencillo del ítem
dc.contributor.author | Bello-Jurado, Estefanía | es_ES |
dc.contributor.author | Schwalbe-Koda, Daniel | es_ES |
dc.contributor.author | Nero, Mathias | es_ES |
dc.contributor.author | Paris, Cecilia | es_ES |
dc.contributor.author | Uusimäki, Toni | es_ES |
dc.contributor.author | Román-Leshkov, Yuriy | es_ES |
dc.contributor.author | Corma Canós, Avelino | es_ES |
dc.contributor.author | Willhammar, Tom | es_ES |
dc.contributor.author | Gómez-Bombarelli, Rafael | es_ES |
dc.contributor.author | Moliner Marin, Manuel | es_ES |
dc.date.accessioned | 2023-05-24T18:02:05Z | |
dc.date.available | 2023-05-24T18:02:05Z | |
dc.date.issued | 2022-07-11 | es_ES |
dc.identifier.issn | 1433-7851 | es_ES |
dc.identifier.uri | http://hdl.handle.net/10251/193574 | |
dc.description.abstract | [EN] A novel ab initio methodology based on high-throughput simulations has permitted designing unique biselective organic structure-directing agents (OSDAs) that allow the efficient synthesis of CHA/AEI zeolite intergrowth materials with controlled phase compositions. Distinctive local crystallographic ordering of the CHA/AEI intergrowths was revealed at the nanoscale level using integrated differential phase contrast scanning transmission electron microscopy (iDPC STEM). These novel CHA/AEI materials have been tested for the selective catalytic reduction (SCR) of NOx, presenting an outstanding catalytic performance and hydrothermal stability, even surpassing the performance of the well-established commercial CHA-type catalyst. This methodology opens the possibility for synthetizing new zeolite intergrowths with more complex structures and unique catalytic properties. | es_ES |
dc.description.sponsorship | E.B.-J., C.P., M.M. and A.C. acknowledge financial support by the Spanish Government [Grant RTI2018-101033-B-I00 (MCIU/AEI/FEDER, UE)], and by CSIC [I-link+ Program (LINKA20381)]. D.S.-K. and R.G.-B. acknowledge the Energy Initiative (MITEI) and MIT International Science and Technology Initiatives (MISTI) Seed Funds. D.S.-K. was additionally funded by the MIT Energy Fellowship. Y.R.-L acknowledges support by the U.S. Department of Energy, Office of Basic Energy Sciences under Award DE-SC0016214. E.B.-J. acknowledges the Spanish Government for an FPI scholarship (PRE2019-088360). T.W. acknowledges financial support by the Swedish Research Council (Grant No. 2019-05465). T.W. and T.U. acknowledge funding from the Swedish Strategic Res. Foundation (project nr. ITM17-0301). The Electron Microscopy Service of the UPV is also acknowledged for their help in sample characterization. Computer calculations were executed at the Massachusetts Green High-Performance Computing Center with support from MIT Research Computing, and at the Extreme Sci. and Eng. Discovery Environment (XSEDE)<SUP>[33]</SUP> Expanse through allocation TG-DMR200068. | es_ES |
dc.language | Inglés | es_ES |
dc.publisher | John Wiley & Sons | es_ES |
dc.relation.ispartof | Angewandte Chemie International Edition | es_ES |
dc.rights | Reconocimiento (by) | es_ES |
dc.subject | CHA | es_ES |
dc.subject | AEI intergrowths | es_ES |
dc.subject | Biselective OSDAs | es_ES |
dc.subject | Cu-containing zeolites | es_ES |
dc.subject | SCR-NOx | es_ES |
dc.subject | Machine Learning | es_ES |
dc.title | Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure-Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx | es_ES |
dc.type | Artículo | es_ES |
dc.identifier.doi | 10.1002/anie.202201837 | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-101033-B-I00/ES/DISEÑO DE CATALIZADORES MULTIFUNCIONALES PARA LA CONVERSION EFICIENTE DE BIOGAS Y GAS NATURAL A HIDROCARBUROS DE INTERES INDUSTRIAL/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/UPV//PRE2019-088360/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/CSIC//LINKA20381//I-link+ Program/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/DOE//DE-SC0016214/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/VR//2019-05465/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/SSF//ITM17-0301/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MIT//MITEI/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MIT//MISTI/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MIT//Energy Fellowship/ | es_ES |
dc.rights.accessRights | Abierto | es_ES |
dc.description.bibliographicCitation | Bello-Jurado, E.; Schwalbe-Koda, D.; Nero, M.; Paris, C.; Uusimäki, T.; Román-Leshkov, Y.; Corma Canós, A.... (2022). Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure-Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx. Angewandte Chemie International Edition. 61(28):1-6. https://doi.org/10.1002/anie.202201837 | es_ES |
dc.description.accrualMethod | S | es_ES |
dc.relation.publisherversion | https://doi.org/10.1002/anie.202201837 | es_ES |
dc.description.upvformatpinicio | 1 | es_ES |
dc.description.upvformatpfin | 6 | es_ES |
dc.type.version | info:eu-repo/semantics/publishedVersion | es_ES |
dc.description.volume | 61 | es_ES |
dc.description.issue | 28 | es_ES |
dc.identifier.pmid | 35506452 | es_ES |
dc.identifier.pmcid | PMC9401568 | es_ES |
dc.relation.pasarela | S\484958 | es_ES |
dc.contributor.funder | Swedish Research Council | es_ES |
dc.contributor.funder | U.S. Department of Energy | es_ES |
dc.contributor.funder | Agencia Estatal de Investigación | es_ES |
dc.contributor.funder | European Regional Development Fund | es_ES |
dc.contributor.funder | Stiftelsen för Strategisk Forskning | es_ES |
dc.contributor.funder | Massachusetts Institute of Technology | es_ES |
dc.contributor.funder | Universitat Politècnica de València | es_ES |
dc.contributor.funder | Consejo Superior de Investigaciones Científicas | es_ES |