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Citation: Zhi-Wen ZENG, Xiang LI, Fu-Xing ZHANG, Meysam NAJAFI. Study of Mechanisms of CO and NO2 Oxidation on Zn–CNT (6, 0) and Zn–BNNT (6, 0), Mn–B38N38 and Mn–C76[J]. Chinese Journal of Structural Chemistry, ;2020, 39(1): 41-47. doi: 10.14102/j.cnki.0254-5861.2011-2461 shu

Study of Mechanisms of CO and NO2 Oxidation on Zn–CNT (6, 0) and Zn–BNNT (6, 0), Mn–B38N38 and Mn–C76

  • a.

    Department of Basic Courses, Hunan Polytechnic of Environment and Biology, Hengyang 421005, China

  • b.

    Department of Medical and Technical, Hunan Polytechnic of Environment and Biology, Hengyang 421005, China

  • c.

    Department of Chemistry and Material Science, Hengyang Normal University, Hengyang 421008, China

  • d.

    Medical Biology Research Center, Health Technology Institute, Kermanshah University of Medical Sciences, Kermanshah 67149-67346, Iran

  • Corresponding author: Zhi-Wen ZENG, aichayu520@163.com Meysam NAJAFI, iau.mnajafi@yahoo.com
  • Received Date: 17 May 2019
    Accepted Date: 20 November 2019

    Fund Project: The Innovation Platform Open Foundation for Colleges and Universities of Hunan Province – Synthesis, Structure and Performance of Metal Ions Fluorescent Probes Based on Complex ones GN19K02

Figures(3)

  • The abilities and performances of Mn–C76, Mn–B38N38, Zn–CNT (6, 0) and Zn–BNNT (6, 0) to the oxidation of NO2 and CO are investigated. The oxidation reactions of NO2 and CO through the Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms by theoretical methods are examined. The most stable intermediates of oxidation reactions of NO2 and CO on Mn–C76, Mn–B38N38, Zn–CNT (6, 0) and Zn–BNNT (6, 0) are obtained from thermodynamics view point. In the LH pathway, Mn–C76, Mn–B38N38, Zn–CNT (6, 0) and Zn–BNNT (6, 0) catalysts are deactivated via the second NO2 and CO molecules. In the ER pathway, the second NO3 and CO2 molecules are separated. Finally, the Mn–C76, Mn–B38N38, Zn–CNT (6, 0) and Zn–BNNT (6, 0) are proposed to oxidize NO2 and CO molecules with high performances at room temperature.
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