Abstract
Metal nanoparticles (NPs) encapsulated within Zr-based UiO-67 metal-organic frameworks (MOFs) have increased selectivity toward methanol in CO2 reduction reactions. However, the reduction mechanism in these systems remains unclear. We built upon prior work examining the synergistic interaction between Pt nanoparticles and Zr6O4(OH)4 clusters in UiO-67 and developed five distinct models
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