Evidence of Hydronium Formation in Water–Chabazite Zeolite Using Inelastic Neutron Scattering Experiments and ab Initio Molecular Dynamics Simulations

A combined study of inelastic neutron scattering and ab initio molecular dynamics simulations has been performed in order to study the water–acid site interaction in zeolite chabazite with a ratio Si/Al = 16 that corresponds to 2 protons/uc with two different water coverages with the number of water...

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Veröffentlicht in:	Journal of physical chemistry. C 2020-03, Vol.124 (9), p.5436-5443
Hauptverfasser:	Jiménez-Ruiz, M, Gahle, D. S, Lemishko, T, Valencia, S, Sastre, G, Rey, F
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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