The exchange of the extra-framework Na+ ions in Engelhard titanosilicate (ETS-10) with Ag+ and Ru3+ has been investigated theoretically by means of density functional theory (DFT) and experimentally, with the aim of elucidating its effects on the structural, electronic and vibrational properties of the Ti-O-Ti quantum wire. A comparison of theoretical findings and experimental Raman data in the region of Ti-O-Ti stretching reveals that the introduction of the Ag+ ions preserves the integrity of the wire to a large extent while Ru3+ ions cause large-scale distortions along with some loss in crystallinity.

Effect of ion-exchange on structural, electronic, and vibrational properties of the-O-Ti-O-Ti-O-quantum wires in ETS-10

TOFFOLI, DANIELE;
2014

Abstract

The exchange of the extra-framework Na+ ions in Engelhard titanosilicate (ETS-10) with Ag+ and Ru3+ has been investigated theoretically by means of density functional theory (DFT) and experimentally, with the aim of elucidating its effects on the structural, electronic and vibrational properties of the Ti-O-Ti quantum wire. A comparison of theoretical findings and experimental Raman data in the region of Ti-O-Ti stretching reveals that the introduction of the Ag+ ions preserves the integrity of the wire to a large extent while Ru3+ ions cause large-scale distortions along with some loss in crystallinity.
http://journals.cambridge.org/action/displayJournal?jid=THG
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11368/2870487
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