芳构化
沸石
催化作用
庚烷
脱氢
选择性
材料科学
成核
Atom(片上系统)
密度泛函理论
化学工程
物理化学
有机化学
计算化学
化学
计算机科学
嵌入式系统
工程类
作者
Dan Xu,Shuyuan Wang,Baoshan Wu,Bin Zhang,Yong Qin,Chun‐Fang Huo,Lihua Huang,Xiaodong Wen,Yong Yang,Yongwang Li
标识
DOI:10.1021/acsami.9b08137
摘要
Conversion of straight-chain paraffins into aromatics is particularly attractive but extremely challenging in the oil refining industry. Constructing the Pt-supported catalysts with high aromatic selectivity is vital. Here, we report a strategy to use Fe-modified KL zeolites to improve the Pt atom utilization efficiency and anchor them inside KL zeolite channels via atomic-layer deposition technique. A combination of highly dispersed single-atom Pt and electron-rich Pt clusters is fabricated on the KL zeolite through the creation of proper nucleation sites. The resulted catalyst (PtFe-1/KL) exhibits excellent performance for the n-heptane aromatization (90.1% aromatic selectivity) with an apparent activation energy of 131 kJ/mol and much enhanced stability at a relatively lower temperature (420 °C). Experimental analysis and density functional theory calculation demonstrate that the single-atom Pt might play a key role in the initial dehydrogenation of n-heptane to 1-heptene, and the superior stable Pt clusters encapsulated inside Fe-decorated KL zeolite channels accelerate the 1-heptene dehydrocyclization to aromatics. The synergetic interaction between single-atom Pt and Pt clusters enables the PtFe-1/KL catalyst to be one of the most effective n-heptane aromatization catalysts reported to date.
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