Makale detayı · 2014
Understanding the Effects of Ion-Exchange in Titanosilicate ETS-10: A Joint Theoretical and Experimental Study
The Journal of Physical Chemistry C
- Yıl
- 2014
- ISSN
1932-7447- Tür
- article
Veri kaynağı ayrımı
- YÖKSİS YÖKSİS makale kaydı
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Özet
İngilizce (OpenAlex)
Density functional theory (DFT) calculations within the gradient-corrected approximation (GGA) were carried out on two models of Engelhard titanosilicate (ETS-10) with the aim to elucidate the effect of ion exchange on the structural and electronic properties of the Ti–O–Ti quantum wire. The partial and full exchange of Na + cations with alkaline, earth-alkaline, and transition metal ions have been investigated. The theoretical results have been complemented by experimental X-ray diffraction (XRD) and Raman data in the region of the Ti–O–Ti stretching of the wire. Overall, the experimental data support the theoretical findings where substitution of Na + with K +, Ag +, and Ca 2+ cause only minor structural changes in the wire while the inclusion of Zn 2+, Ru 3+, and Au 3+ cause its partial or entire disruption.
Konular
- Glass properties and applications
- Zeolite Catalysis and Synthesis
- Luminescence Properties of Advanced Materials
Birincil konu Glass properties and applications