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Morphology-reactivity relationship of the CO2 hydrogenation reaction on ZrO2 thin films grown on Cu(111)
Lei Zhang1, Guilhem Simon2, Chahinez Fellous1
1Sorbonne Université, CNRS, LCPMR, 4 place Jussieu, 75005 Paris, France. ahmed.nait_abdi@sorbonne-universite.fr.
Abstract:
In situ Raman, XPS, and DFT reveal a phase-dependent divergence in CO2 hydrogenation over ZrO2/Cu(111) ultra-model catalysts. Defective cubic films, displaying Zr3+ sites, stabilize an associative pathway via formate and methoxy intermediates, whereas stoichiometric monoclinic films, presenting Zr4+ sites, promote a redox rWGS route kinetically bottlenecked by byproduct-induced surface carbon monoxide.
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