Characterization of ND3 adsorption behaviors on H-ZSM-5 by NPD. (IMAGE)
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(A) Rietveld refinement profiles of NPD data [wavelength, λ = 2.43953(2) Å; weighted profile residual, Rwp = 1.77%; expected profile residual, Rexp = 1.54%; GoF = 1.15]. Zeolite structures with the determined ND3 sites (N1, N2, and N3) with the bond length information (in angstroms) retrieved by means of NPD-Rietveld refinement. (B) The refined periodic structure and (C and D) enlarged detailed views. The atomic and crystallographic parameters are summarized in tables S11 and S12. (E) ND3 adsorption geometries with bond lengths and angles. Symmetry in adsorption sites is disregarded for clarity. The detailed characterization of adsorption geometries and behaviors for ND3 on acid sites by NPD is given in the SM.
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