Computational screening-based development in VOC removal catalyst: Methyl ethyl ketone oxidation over Pt/TiO2

Chemical Engineering Journal(2023)

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摘要
•Computational screening confirmed the high reactivity of Pt-substituted TiO2.•Pt substituted TiO2 was prepared by the modified sol–gel method.•Pt substituted TiO2 exhibited improved activity for MEK combustion.•The computational screening result had been confirmed experimentally.
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关键词
VOC removal,VOC combustion,Computational screening,Pt/TiO2 catalyst,Pt-substituted TiO2
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