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Supporting Information for Influence of Framework Al Density in Chabazite Zeolites on Copper Ion Mobility and Reactivity During NOx Selective Catalytic Reduction with NH3

descriptionPublicationkeyboard_double_arrow_right Article 03 Feb 2023Publisher:Zenodo
Authors: Krishna, Siddarth H.; Goswami, Anshuman; Yujia Wang; Jones, Casey B.; Dean, David P.; Miller, Jeffrey T.; Schneider, William F.; +1 Authors

doi: 10.5281/zenodo.7604048 , 10.5281/zenodo.7604047

Supporting Information for Influence of Framework Al Density in Chabazite Zeolites on Copper Ion Mobility and Reactivity During NOx Selective Catalytic Reduction with NH3

Abstract

Supporting Information for Influence of Framework Al Density in Chabazite Zeolites on Copper Ion Mobility and Reactivity During NOx Selective Catalytic Reduction with NH3. Contains: Python scripts for computing oxidizable Cu(I) fraction by titrating Cu(I) pairs separated by 'y' 8-MR windows in Figure 4. Python scripts and representative initial/final configurations for Monte Carlo simulations in Figure S4. VESTA files for images in Figure S5. Python scripts for computing fraction of Cu(I) co-caged with 'x' NH4 in Figure S8.

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This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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