Density functional theory studies of Cu-zeolite de-NOx catalysts |
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Authors: | K. C. Hass and W. F. Schneider |
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Affiliation: | (1) Ford Research Laboratory, Ford Motor Company, SRL MD/3028, 48121-2053 Dearborn, MI, USA |
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Abstract: | Summary Recent progress in the modelling of exchanged Cu sites and their interactions with small molecules, based on DFT cluster calculations, is briefly reviewed. |
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Keywords: | Zeolites Catalysts Ion exchange Density functional theory |
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