Molecular Elucidation of the Cu Redox Cycle Underlying NOx Selective Catalytic Reduction in Cu-SSZ-13

Paolucci, Christopher

Monday, June 15, 2015: 4:20 PM

406 (Lawrence Convention Center)

Christopher Paolucci¹, Anuj Verma², Shane A. Bates², Atish Parekh², Jeffrey T. Miller³, Rajamani Gounder², W. Nicholas Delgass², Fabio H. Ribeiro² and William F. Schneider¹, (1)University of Notre Dame, USA, (2)Purdue University, USA, (3)Argonne National Laboratory, USA.

We combine several computational approaches to reveal details of NO_x SCR over Cu-SSZ-13 and an interpretation of operando XAS and NH₃ TPD experiments. We show: Cu undergoes a redox cycle with products generated in both half-reactions; the half-reactions produce and consume transient proximal Brønsted sites; the half-reactions have comparable rates.

Extended Abstracts:

Paolucci-NAM2015.pdf (905.4KB) - Extended Abstract

O-M-406-14 Molecular Elucidation of the Cu Redox Cycle Underlying NOx Selective Catalytic Reduction in Cu-SSZ-13