Fig. 4: DFT calculated energetics along reaction coordinations. | Nature Communications

Fig. 4: DFT calculated energetics along reaction coordinations.

From: Interplay between copper redox and transfer and support acidity and topology in low temperature NH3-SCR

Fig. 4: DFT calculated energetics along reaction coordinations.The alternative text for this image may have been generated using AI.

a comparison of hydrolysis processes of CuII(NH3)4 to CuII(OH)(NH3)3 in LTA and CHA zeolites. b diffusion of CuII(OH)(NH3)3 intermediate through CHA 8MR via de-solvation path CuII(OH)(NH3)3 (A) + 2HB+ → CuII(OH2)(NH3)3 (A) + HB+ → CuII(NH3)2 (A) + H2O + NH4+ → CuII(NH3)(B) + H2O + NH4+. c the same diffusion process via LTA 8MR.

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