Local Structure of Copper Centers Obtained during Solid-Phase Synthesis in Copper–Mordenite Zeolite.

Autor:	Pryadchenko, V. V., Sukharina, G. B., Ermakova, A. M., Bazovaya, S. V., Kurzina, T. I., Durymanov, V. A., Tolstopyatenko, V. A., Srabionyan, V. V., Avakyan, L. A., Bugaev, L. A.
Předmět:	SOLID-phase synthesis COPPER DENSITY functional theory X-ray absorption ATOMIC structure ZEOLITES
Zdroj:	Technical Physics; Sep2021, Vol. 66 Issue 9, p1018-1024, 7p
Abstrakt:	The influence of temperature conditions for synthesis on the nearest-neighbor environment of copper atoms in copper–mordenite zeolites produced by solid-phase ion exchange has been investigated. The models of the local atomic structure of active copper centers in copper–mordenite zeolite at 300 and 400°C have been established using two complementary techniques: X-ray absorption spectroscopy and density functional theory. It has been found that, at 300°C, the copper atom does not have another one in its nearest-neighbor environment (monocentric model), whereas at 400°C the center contains at least two copper atoms, which form Cu–O–Cu bridges. The structural parameters of Cu–O bonds have been determined. [ABSTRACT FROM AUTHOR]
Databáze:	Complementary Index
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