糠醛氢化过程中金与钯合金化的影响：原位 ATR-IR 光谱和密度泛函理论研究

IF 3.4 3区化学 Q2 CHEMISTRY, PHYSICAL Catalysis Communications Pub Date : 2024-02-01 DOI:10.1016/j.catcom.2024.106894

Sebastiano Campisi , Silvio Bellomi , Lidia E. Chinchilla , Marta Stucchi , Laura Prati , Alberto Roldan , Davide Ferri , Alberto Villa

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引用次数: 0

摘要

糠醛是一种用途广泛的平台分子，也是探索影响异相催化活性和选择性关键因素的模型化合物。本研究采用溶胶固定法在 TiO 上沉积了 Pd 和 AuPd 纳米粒子（平均尺寸为 3.5-4 nm），并对其在液相糠醛加氢中的应用进行了评估。金和钯的合金化导致活性降低、稳定性增强和选择性改变，使糠醛的完全氢化反应优于脱羰基反应。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。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Effects of alloying palladium with gold in furfural hydrogenation:An in situ ATR-IR spectroscopy and density functional theory study

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 TiO₂ 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.

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来源期刊

Catalysis Communications 化学-物理化学

CiteScore

6.20

自引率

2.70%

发文量

183

审稿时长

46 days

期刊介绍： Catalysis Communications aims to provide rapid publication of significant, novel, and timely research results homogeneous, heterogeneous, and enzymatic catalysis.