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• W2003638508 abstract "Chabazite supported Cu is a promising catalyst platform for implementing a NH3/urea-based Selective Catalytic Reduction (SCR) system to remove hazardous NOx gases from lean-burn engine exhaust. Whereas in-depth spectroscopic and other studies have attempted to identify key features of the catalytic cycle previously, a deep understanding of the SCR mechanism amenable to systematic improvement of catalyst performance remains elusive. For example, neither the precise Cu coordination geometry at the active site nor the substrate binding affinities to the catalytic center are known. To establish a more rational approach to catalyst optimization based on the thermodynamics and kinetics of the key steps of the underlying NOx-transformations we developed a quantum chemical model and benchmarked it to match vibrational data from Diffuse Reflectance Infrared Fourier Transform spectroscopy resulting in plausible assignments of each observable intermediate to specific oxidation states of Cu and NO-binding properties. Among these intermediates, we identified the structure of a lattice supported NO+ cation species, expected to be reactive towards NH3, corresponding to a high frequency IR-absorption at 2170 cm−1. This approach enables a more precise assignment of the experimental vibrational data to key intermediates potentially involved in the catalytic cycle in order to develop a micromechanistic proposal for the catalysis that is chemically meaningful and is logically consistent." @default.
• W2003638508 created "2016-06-24" @default.
• W2003638508 creator A5030203661 @default.
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• W2003638508 creator A5090230450 @default.
• W2003638508 date "2015-05-01" @default.
• W2003638508 modified "2023-09-27" @default.
• W2003638508 title "Computational and spectroscopic characterization of key intermediates of the Selective Catalytic Reduction cycle of NO on zeolite-supported Cu catalyst" @default.
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• W2003638508 cites W161033698 @default.
• W2003638508 cites W1731504969 @default.
• W2003638508 cites W1963845464 @default.
• W2003638508 cites W1963999286 @default.
• W2003638508 cites W1966182479 @default.
• W2003638508 cites W1968426044 @default.
• W2003638508 cites W1968703286 @default.
• W2003638508 cites W1970127494 @default.
• W2003638508 cites W1970912590 @default.
• W2003638508 cites W1972518695 @default.
• W2003638508 cites W1974516579 @default.
• W2003638508 cites W1975511973 @default.
• W2003638508 cites W1977357351 @default.
• W2003638508 cites W1977883521 @default.
• W2003638508 cites W1979544533 @default.
• W2003638508 cites W1981368803 @default.
• W2003638508 cites W1981383508 @default.
• W2003638508 cites W1985539778 @default.
• W2003638508 cites W1985750401 @default.
• W2003638508 cites W1988075554 @default.
• W2003638508 cites W1992703989 @default.
• W2003638508 cites W1999951567 @default.
• W2003638508 cites W2002747565 @default.
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• W2003638508 cites W2003236497 @default.
• W2003638508 cites W2003592386 @default.
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• W2003638508 cites W2007395042 @default.
• W2003638508 cites W2010552065 @default.
• W2003638508 cites W2010869192 @default.
• W2003638508 cites W2023271753 @default.
• W2003638508 cites W2025078334 @default.
• W2003638508 cites W2025125769 @default.
• W2003638508 cites W2028204187 @default.
• W2003638508 cites W2030251712 @default.
• W2003638508 cites W2038533471 @default.
• W2003638508 cites W2041667125 @default.
• W2003638508 cites W2042699800 @default.
• W2003638508 cites W2046412723 @default.
• W2003638508 cites W2046704591 @default.
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• W2003638508 cites W2056626830 @default.
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• W2003638508 doi "https://doi.org/10.1016/j.ica.2015.02.021" @default.
• W2003638508 hasPublicationYear "2015" @default.
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