IntegratedoperandoX-ray absorption and DFT characterization of Cu–SSZ-13 exchange sites during the selective catalytic reduction of NOxwith NH3

Publication year: 2012 Source: Catalysis Today, Available online 23 January 2012 J.-S. McEwen, T. Anggara, W.F. Schneider, V.F. Kispersky, J.T. Miller, … We investigate the Cu oxidation state and coordination environment in copper-exchanged chabazite (Cu–SSZ-13) underoperandoconditions representative of NOxselective catalytic reduction (SCR) with ammonia, using a combination of X-ray absorption spectroscopy (XAS) experiments, density functional theory (DFT), and first-principles thermodynamics models

Publication year: 2012 Source: Catalysis Today, Available online 23 January 2012 J.-S. McEwen, T. Anggara, W.F. Schneider, V.F. Kispersky, J.T. Miller, … We investigate the Cu oxidation state and coordination environment in copper-exchanged chabazite (Cu–SSZ-13) underoperandoconditions representative of NOxselective catalytic reduction (SCR) with ammonia, using a combination of X-ray absorption spectroscopy (XAS) experiments, density functional theory (DFT), and first-principles thermodynamics models

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IntegratedoperandoX-ray absorption and DFT characterization of Cu–SSZ-13 exchange sites during the selective catalytic reduction of NOxwith NH3