Copper coordination to water and ammonia in CuII-exchanged SSZ-13: atomistic insights from DFT calculations and in situ XAS experiments

Kerkeni B, Berthout D, Berthomieu D, Doronkin DE, Casapu M, Grunwaldt J-D & Chizallet C
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Kerkeni, B., Berthout, D., Berthomieu, D., Doronkin, D. E., Casapu, M., Grunwaldt, J. D., & Chizallet, C. (2018). Copper coordination to water and ammonia in CuII-exchanged SSZ-13: atomistic insights from DFT calculations and in situ XAS experiments. Journal of Physical Chemistry C, 122(29), 16741-16755. https://doi.org/10.1021/acs.jpcc.8b03572