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Potassium Promotion of Cobalt Spinel Catalyst for N2O Decomposition—Accounted by Work Function Measurements and DFT Modelling

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Abstract

The beneficial effect (decrease of the half conversion temperature by 100 °C) of potassium doping, in the range of 0–5 atoms/nm2, on N2O decomposition over Co3O4 was analyzed by work function measurements and DFT calculations. The optimal potassium surface loading was found to be 1.8 atoms/nm2. The effect was explained in terms of electronic promotion gauged by lowering of the catalyst work function by 0.48 eV (for K2CO3 precursor) and 0.44 eV (for KOH). The promotional effect is discussed in relation to the theoretical and experimental surface dipoles determined from Hirshfeld atomic charges and geometry of the postulated potassium adspecies and from the Topping model, respectively.

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Acknowledgments

This work was done within The European Research Project COST D41.

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Authors and Affiliations

  1. Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060, Krakow, Poland

    Filip Zasada, Pawel Stelmachowski, Gabriela Maniak, Andrzej Kotarba & Zbigniew Sojka

  2. Unité de Catalyse et Chimie du Solide UMR 8181, Université des Sciences et Technologies de Lille, 59655, Villeneuve d’Ascq Cedex, France

    Jean-Francois Paul

Authors
  1. Filip Zasada
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  2. Pawel Stelmachowski
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  3. Gabriela Maniak
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  4. Jean-Francois Paul
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  5. Andrzej Kotarba
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  6. Zbigniew Sojka
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Correspondence to Andrzej Kotarba.

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Zasada, F., Stelmachowski, P., Maniak, G. et al. Potassium Promotion of Cobalt Spinel Catalyst for N2O Decomposition—Accounted by Work Function Measurements and DFT Modelling. Catal Lett 127, 126–131 (2009). https://doi.org/10.1007/s10562-008-9655-6

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  • DOI: https://doi.org/10.1007/s10562-008-9655-6

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