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• W3048953448 startingPage "7672" @default.
• W3048953448 abstract "The tunability offered by alloying different elements is useful to design catalysts with greater activity, selectivity, and stability than single metals. By comparing the Pd(111) and PdZn(111) model catalysts for CO2 hydrogenation to methanol, we show that intermetallic alloying is a possible strategy to control the reaction pathway from the tuning of adsorbate binding energies. In comparison to Pd, the strong electron-donor character of PdZn weakens the adsorption of carbon-bound species and strengthens the binding of oxygen-bound species. As a consequence, the first step of CO2 hydrogenation more likely leads to the formate intermediate on PdZn, while the carboxyl intermediate is preferentially formed on Pd. This results in the opening of a pathway from carbon dioxide to methanol on PdZn similar to that previously proposed on Cu. These findings rationalize the superiority of PdZn over Pd for CO2 conversion into methanol and suggest guidance for designing more efficient catalysts by promoting the proper reaction intermediates." @default.
• W3048953448 created "2020-08-18" @default.
• W3048953448 creator A5016945436 @default.
• W3048953448 creator A5031132200 @default.
• W3048953448 creator A5035200078 @default.
• W3048953448 creator A5066661632 @default.
• W3048953448 date "2020-08-12" @default.
• W3048953448 modified "2023-10-03" @default.
• W3048953448 title "Tuning Adsorption Energies and Reaction Pathways by Alloying: PdZn versus Pd for CO₂ Hydrogenation to Methanol" @default.
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