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Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure-Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx

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Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure-Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx

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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


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