Effect of Framework Composition and NH(3) on the Diffusion of Cu(+) in Cu-CHA Catalysts Predicted by Machine-Learning Accelerated Molecular Dynamics

por Millan, Reisel, Bello-Jurado, Estefanía, Moliner, Manuel, Boronat, Mercedes, Gomez-Bombarelli, Rafael
Publicado 2023

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

por Bello‐Jurado, Estefanía, Schwalbe‐Koda, Daniel, Nero, Mathias, Paris, Cecilia, Uusimäki, Toni, Román‐Leshkov, Yuriy, Corma, Avelino, Willhammar, Tom, Gómez‐Bombarelli, Rafael, Moliner, Manuel
Publicado 2022