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Density functional theory studies of Cu-zeolite de-NOx catalysts

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Journal of Computer-Aided Materials Design

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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Authors and Affiliations

  1. Ford Research Laboratory, Ford Motor Company, SRL MD/3028, 48121-2053, Dearborn, MI, USA

    K. C. Hass & W. F. Schneider

Authors
  1. K. C. Hass
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  2. W. F. Schneider
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Hass, K.C., Schneider, W.F. Density functional theory studies of Cu-zeolite de-NOx catalysts. J Computer-Aided Mater Des 3, 210–212 (1996). https://doi.org/10.1007/BF01185655

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  • DOI: https://doi.org/10.1007/BF01185655

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