Confinement effects and acid strength in zeolites
Emanuele Grifoni, GiovanniMaria Piccini, Johannes A. Lercher and 3 more
Nature Communications · 2021
doi:10.1038/s41467-021-22936-0 (opens in a new tab)
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Abstract
The structure of water around Brønsted acid sites in zeolites is shown to influence their catalytic activity. Here the authors shed light on confinement effects in different pores zeolites/water interfaces acidic strength by means of ab-initio molecular dynamics and enhanced sampling metadynamics techniques.
Abstract licence: CC BY-NC-ND
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