Furfural is a versatile platform molecule and a model compound to explore the key factors influencing activity and selectivity in heterogeneous catalysis. In this study, Pd and AuPd nanoparticles (average size 3.5–4 nm) were deposited on TiO by sol immobilization method and were evaluated for liquid-phase furfural hydrogenation. Alloying Au and Pd caused a decrease in activity, an enhancement in stability, and a change in selectivity, favouring the complete hydrogenation of furfural over the decarbonylation reaction. These variations in catalytic performance were elucidated by combining in situ attenuated total reflectance infrared spectroscopy and density functional theory studies.

中文翻译：

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钯金合金化对糠醛加氢的影响：原位 ATR-IR 光谱和密度泛函理论研究

糠醛是一种多功能平台分子和模型化合物，用于探索影响多相催化活性和选择性的关键因素。在这项研究中，Pd 和 AuPd 纳米颗粒（平均尺寸 3.5-4 nm）通过溶胶固定法沉积在 TiO 上，并评估液相糠醛氢化反应。 Au和Pd的合金化导致活性降低、稳定性增强和选择性改变，有利于糠醛的完全氢化而不是脱羰反应。通过结合原位衰减全反射红外光谱和密度泛函理论研究阐明了催化性能的这些变化。