Correlation between catalytic activity and metal cation coordination: NO decomposition over Cu/zeolites

Abstract

Just say NO: The catalytic activity of Cu/zeolites for NO removal depends on the metal cation coordination to the framework. The most active catalysts are those with Cu1 loosely coordinated to the framework. The catalytic cycle is investigated using a periodic DFT model to account for the effect of the zeolite on the stability of reaction intermediates. © 2009 Wiley-VCH Verlag GmbH& Co. KGaA, Weinheim.