Theoretical and Spectroscopic Evidence of the Dynamic Nature of Copper Active Sites in Cu-CHA Catalysts under Selective Catalytic Reduction (NH(3)–SCR–NO(x)) Conditions

[Image: see text] The dynamic nature of the copper cations acting as active sites for selective catalytic reduction of nitrogen oxides with ammonia is investigated using a combined theoretical and spectroscopic approach. Ab initio molecular dynamics simulations of Cu-CHA catalysts in contact with re...

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Autores principales: Millan, Reisel, Cnudde, Pieter, Hoffman, Alexander E. J., Lopes, Christian W., Concepción, Patricia, van Speybroeck, Veronique, Boronat, Mercedes
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7720274/
https://www.ncbi.nlm.nih.gov/pubmed/33179925
http://dx.doi.org/10.1021/acs.jpclett.0c03020

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