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EnglishThe 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.
| Titolo: | Effect of ion-exchange on structural, electronic, and vibrational properties of the-O-Ti-O-Ti-O-quantum wires in ETS-10 | |
| Autori: | ||
| Data di pubblicazione: | 2014 | |
| Rivista: | ||
| 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. | |
| Handle: | http://hdl.handle.net/11368/2870487 | |
| URL: | http://journals.cambridge.org/action/displayJournal?jid=THG | |
| Appare nelle tipologie: | 4.1 Contributo in Atti Convegno (Proceeding) |
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