Slow Release of NO by Microporous Titanosilicate ETS-4
authors Pinto, ML; Rocha, J; Gomes, JRB; Pires, J
nationality International
journal JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
keywords TOTAL-ENERGY CALCULATIONS; ALUMINUM-PILLARED CLAYS; AUGMENTED-WAVE METHOD; ION-EXCHANGED ZSM-5; NITRIC-OXIDE; BASIS-SET; NITROGEN MONOXIDE; ADSORPTION; ZEOLITES; SILICATES
abstract A novel approach to designing nitric oxide (NO) storage and releasing microporous agents based on very stable, zeolite-type silicates possessing framework unsaturated transition-metal centers has been proposed. This idea has been illustrated with ETS-4 [Na(9)Si(12)Ti(5)O(38)(OH)center dot xH(2)O], a titanosilicate that displays excellent NO adsorption capacity and a slow releasing kinetics. The performance of these materials has been compared to the performance of titanosilicate ETS-10, [(Na,K)(2)Si(5)TiO(13)center dot xH(2)O], of benchmark zeolites mordenite and CaA, and of natural and pillared clays. DFT periodic calculations have shown that the presence of water in the pores of ETS-4 promotes the NO adsorption at the unsaturated (pentacoordinated) Ti(4+) framework ions.
publisher AMER CHEMICAL SOC
issn 0002-7863
year published 2011
volume 133
issue 16
beginning page 6396
ending page 6402
digital object identifier (doi) 10.1021/ja200663e
web of science category Chemistry, Multidisciplinary
subject category Chemistry
unique article identifier WOS:000292715500044
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journal impact factor 14.357
5 year journal impact factor 13.613
category normalized journal impact factor percentile 95.614
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