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• W3156386037 endingPage "338" @default.
• W3156386037 startingPage "324" @default.
• W3156386037 abstract "• K/MnO 2 prepared by hydrothermal impregnation method shows superior performance. • MnO 6 -K-MnO 6 bridging bond leads to the uniform energy of Mn-O bonds. • High electron density of K promotes the activation of oxygen molecules. • Excellent reducibility and abundant Brønsted acid sites promote toluene mineralization. • Effect of K doping position on oxygen vacancy and adsorption energy was proposed. Alkali metal potassium is conducive to structure promotion and electronic modulation in metal oxides. Here, K species was successfully introduced into α-MnO 2 via in situ synthesis (Pre-K/MnO 2 ) and hydrothermal impregnation method (Post-K/MnO 2 ) with target to boost the low-temperature reactivity and deep destruction efficiency for toluene oxidation. Results reveal that Post-K/MnO 2 possesses the highest catalytic activity with toluene (1000 ppm) totally mineralized at just 258 °C, achieving over 70 °C of temperature reduction than that of Pre-K/MnO 2 . K specie shows obvious charge transfer balance ability in MnO 2 , forming MnO 6 -K-MnO 6 bridging bond and leading to more uniform energy of Mn-O bonds. High electron density of K + can promote the activation of oxygen molecules, resulting in a better catalytic performance of toluene. Abundant Brønsted acid sites are beneficial for toluene adsorption and regeneration of hydroxyl on the surface, which promote the degradation of intermediates during toluene oxidation. Moreover, Post-K/MnO 2 shows satisfied catalytic performance under different space velocities and initial concentrations and humid condition. Density functional theory (DFT) calculation revealed the situation of oxygen vacancy and toluene/oxygen adsorption energy in catalysts with different K doping locations. Results showed that the adsorption energy is stronger when K located in large tunnel (0.46 × 0.46 nm), and it is easier to form oxygen vacancy while K entered the small tunnel (0.33 × 0.33 nm). The present work paves new insights into the designing of efficient transition metal oxide catalyst for VOC deep purification." @default.
• W3156386037 created "2021-04-26" @default.
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• W3156386037 date "2021-09-01" @default.
• W3156386037 modified "2023-09-29" @default.
• W3156386037 title "Unraveling the effects of potassium incorporation routes and positions on toluene oxidation over α-MnO2 nanorods: Based on experimental and density functional theory (DFT) studies" @default.
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• W3156386037 doi "https://doi.org/10.1016/j.jcis.2021.04.053" @default.
• W3156386037 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33901856" @default.
• W3156386037 hasPublicationYear "2021" @default.
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