Effect of Framework Composition and NH3 on the Diffusion of Cu+ in Cu-CHA Catalysts Predicted by Machine-Learning Accelerated Molecular Dynamics

Effect of Framework Composition and NH3 on the Diffusion of Cu+ in Cu-CHA Catalysts Predicted by Machine-Learning Accelerated Molecular Dynamics

Détails bibliographiques
Auteurs principaux: Reisel Millan, Estefanía Bello-Jurado, Manuel Moliner, Mercedes Boronat, Rafael Gomez-Bombarelli
Format: Article
Langue:English
Publié: American Chemical Society 2023-10-01
Collection:ACS Central Science
Accès en ligne:https://doi.org/10.1021/acscentsci.3c00870

Internet

https://doi.org/10.1021/acscentsci.3c00870

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