催化作用
化学
甲苯
氧气
合金
多相催化
无机化学
金属
价(化学)
密度泛函理论
化学工程
计算化学
有机化学
工程类
作者
Lei Wang,Yong‐Gang Sun,Yulong Ma,Min Xu,Juan Zhang,Yingbo Zhu,Jie Ding,Zhu Li,Jun Ma,Wenxin Ji,Liqiong Wang,Yuanyuan Li
标识
DOI:10.1016/j.jcat.2023.115133
摘要
Dual activation of molecular and lattice oxygen is an important step in the catalytic oxidation of volatile organic compounds. Herein, CeO2 was derived from MOF as an electron donor support to develop a co-catalyst with Pt-Pd alloy nanoparticles (Pt-Pd/CeO2). The Prepared Pt-Pd/CeO2 exhibits excellent catalytic activity towards toluene oxidation, showing a turnover frequency (TOF 0.26 s−1) higher than those of Pt/CeO2 (0.05 s−1) and Pd/CeO2 (0.02 s−1). Several in situ experimental techniques and density functional theory calculations have revealed that the introduction of Pd valence electrons can intensify the electronic metal-support interactions (EMSIs) effects of Pt-Pd/CeO2 catalysts, which can weaken the Ce-O bond, thereby promoting the production and circulation of lattice oxygen and oxygen vacancies, and modulating the d-band centre to enhance the adsorption and activation of reactants. This study presents a comprehensive investigation of toluene oxidation on alloy-supported catalysts, providing practical guidance for designing reliable catalysts suitable for industrial applications.
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