most citedEffect of framework composition and NH3 on the diffusion of Cu+ in Cu-CHA catalysts predicted by machine-learning accelerated molecular dynamics

2 citations · 2 across the 1 of their papers we have counts for

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physics.chem-ph2023★ 2 cited

Effect of framework composition and NH3 on the diffusion of Cu+ in Cu-CHA catalysts predicted by machine-learning accelerated molecular dynamics

Reisel Millan, Estefania Bello-Jurado, Manual Moliner +2

Cu-exchanged zeolites rely on mobile solvated Cu+ cations for their catalytic activity, but the role of framework composition on transport is not fully understood. Ab initio molecu…