In its element: Zn 2+ at the M7 site of MFI-type zeolites activates H 2, via ZnH and OH species, and leads to Zn 0 species. The Zn 0 species returns to its original state, a Zn 2+ ion, upon evacuation of the zeolite at 873 K (see picture). The formation of the Zn 0 species is supported by DFT calculations.
- density functional calculations
- hydrogen activation
- redox chemistry
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