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Spectroscopic Evidence and Density Functional Theory (DFT) Analysis of Low-Temperature Oxidation of Cu+ to Cu2+NOx in Cu-CHA Catalysts: Implications for the SCR-NOx Reaction Mechanism

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Spectroscopic Evidence and Density Functional Theory (DFT) Analysis of Low-Temperature Oxidation of Cu+ to Cu2+NOx in Cu-CHA Catalysts: Implications for the SCR-NOx Reaction Mechanism

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Moreno-González, M.; Millán-Cabrera, R.; Concepción Heydorn, P.; Blasco Lanzuela, T.; Boronat Zaragoza, M. (2019). Spectroscopic Evidence and Density Functional Theory (DFT) Analysis of Low-Temperature Oxidation of Cu+ to Cu2+NOx in Cu-CHA Catalysts: Implications for the SCR-NOx Reaction Mechanism. ACS Catalysis. 9(4):2725-2738. https://doi.org/10.1021/acscatal.8b04717

Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/150608

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Title: Spectroscopic Evidence and Density Functional Theory (DFT) Analysis of Low-Temperature Oxidation of Cu+ to Cu2+NOx in Cu-CHA Catalysts: Implications for the SCR-NOx Reaction Mechanism
Author: Moreno-González, Marta Millán-Cabrera, Reisel Concepción Heydorn, Patricia Blasco Lanzuela, Teresa Boronat Zaragoza, Mercedes
UPV Unit: Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química
Issued date:
Abstract:
[EN] Despite the intense investigation on the NH3-SCR-NOx reaction mechanism catalyzed by small pore Cu-CHA zeolites, neither the rate-determining step of the process nor the exact nature of the active sites under reaction ...[+]
Subjects: Zeolite , Chabazite , Mechanism , NH3-SCR-NOx , EPR , IR , DFT
Copyrigths: Reserva de todos los derechos
Source:
ACS Catalysis. (issn: 2155-5435 )
DOI: 10.1021/acscatal.8b04717
Publisher:
American Chemical Society
Publisher version: https://doi.org/10.1021/acscatal.8b04717
Project ID:
info:eu-repo/grantAgreement/EC/H2020/671093/EU/MATching zeolite SYNthesis with CATalytic activity/
info:eu-repo/grantAgreement/MINECO//MAT2015-71261-R/ES/DISEÑO RACIONAL DE MATERIALES ZEOLITICOS CON CENTROS METALICOS PARA SU APLICACION EN PROCESOS QUIMICOS SOSTENIBLES, MEDIOAMBIENTALES Y ENERGIAS RENOVABLES/
info:eu-repo/grantAgreement/MINECO//CTQ2015-68951-C3-1-R/ES/TRATAMIENTOS CATALITICOS AVANZADOS PARA LA VALORIZACION DE LA BIOMASA Y LA ELIMINACION DE RESIDUOS ASOCIADOS/
info:eu-repo/grantAgreement/MINECO//SEV-2012-0267/
info:eu-repo/grantAgreement/MINECO//SEV-2016-0683/
Description: "This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Catalysis, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acscatal.8b04717."
Thanks:
This work was supported by the Spanish Government through "Severo Ochoa Program" (Nos. SEV 2012-0267; SEV-2016-0683), No. MAT2015-71261-R, and No. CTQ2015-68951-C3-1-R, and by the European Union through No. ERC-AdG-2014-671093 ...[+]
Type: Artículo

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