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Chromium sites in zeolite framework: Chromyl or chromium hydroxyl groups?

Frederik Tielens, Mazharul M. Islam, Gabriella Skara, F. de Proft, Tetsuya Shishido, Stanislaw Dzwigaj

A combined experimental and ab initio periodic DFT calculation on the structure and stability of different chromium-substituted zeolite models are presented. Experimental investigation by XRD, FT-IR and UV-vis show the presence of chromium in SiBEA zeolite. The favorable chromium sites are…

Microporous and Mesoporous Materials, 2012, 159, pp.66-73. ⟨10.1016/j.micromeso.2012.02.046⟩. ⟨hal-00744253⟩