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Density Functional Theory Studies of NO and NO2 Adsorption on Al2O3 Supported SnO2 Cluster

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Abstract

The adsorption of NO and NO2 on Al2O3(100), SnO2(110) as well as Al2O3(100) supported SnO2 cluster has been investigated using first principle density functional theory calculations. It was found that there is a strong interaction between the SnO2 cluster and the Al2O3(100) surface. The SnO2 cluster dispersed on the Al2O3 surface provides strong binding sites for the NO x adsorption. Compared with Al2O3(100) and SnO2(110) surfaces, both NO and NO2 adsorption and activation are promoted over the Al2O3(100) supported SnO2 cluster.

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Al2O3(100) supported SnO2 cluster

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Acknowledgments

This study was financially supported by the National Natural Science Foundation of China (20907003, 21077009), the National High-Tech Research and Development (863) Program of China (2010AA065003) and the World Class University Program (R-31-2008-000-10055-0).

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Authors and Affiliations

  1. State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing, 100029, China

    Zhiming Liu & Hao Hu

  2. School of Environment, Tsinghua University, Beijing, 100084, China

    Junhua Li

  3. Department of Chemical and Biomolecular Engineering, Graduate School of EEWS(WCU), Korea Advanced Institute of Science and Technology, Daejeon, 305-701, Republic of Korea

    Seong Ihl Woo

Authors
  1. Zhiming Liu
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  2. Junhua Li
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  3. Seong Ihl Woo
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  4. Hao Hu
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Correspondence to Zhiming Liu or Junhua Li.

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Liu, Z., Li, J., Woo, S.I. et al. Density Functional Theory Studies of NO and NO2 Adsorption on Al2O3 Supported SnO2 Cluster. Catal Lett 143, 912–918 (2013). https://doi.org/10.1007/s10562-013-1072-9

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  • DOI: https://doi.org/10.1007/s10562-013-1072-9

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