Publication - Journal Article The interaction of reactants, intermediates and products with Cu ions in Cu-SSZ-13 NH3 SCR catalysts: an energetic and ab initio X-ray absorption modeling study

https://doi.org/10.1039/c5cy02252e
Journal Article
Catalysis Science & Technology, vol. 6, iss. 15, pp. 5812-5829, 2016
Authors
Renqin Zhang, János Szanyi, Feng Gao, Jean-Sabin McEwen
Abstract

By modeling the Cu K-edge XANES of Cu-SSZ-13 from first principles, we find that the intensity and edge position does not only depend on the oxidation state of Cu, but also its coordination environment.

English