Catalytic performance of carbon nanotubes in H2O2 decomposition: Experimental and quantum chemical study

Katerina Voitko, Ajna Tóth, Evgenij Demianenko, Gábor Dobos, Barbara Berke, Olga Bakalinska, Anatolij Grebenyuk, Etelka Tombácz, Volodymyr Kuts, Yurij Tarasenko, Mykola Kartel, Krisztina László

Research output: Contribution to journalArticle

16 Citations (Scopus)

Abstract

The catalytic performance of multi-walled carbon nanotubes (MWCNTs) with different surface chemistry was studied in the decomposition reaction of H2O2 at various values of pH and temperature. A comparative analysis of experimental and quantum chemical calculation results is given. It has been shown that both the lowest calculated activation energy (~18.9kJ/mol) and the highest rate constant correspond to the N-containing CNT. The calculated chemisorption energy values correlate with the operation stability of MWCNTs. Based on the proposed quantum chemical model it was found that the catalytic activity of carbon materials in electron transfer reactions is controlled by their electron donor capability.

Original languageEnglish
Pages (from-to)283-290
Number of pages8
JournalJournal of colloid and interface science
Volume437
DOIs
Publication statusPublished - Jan 1 2015

Keywords

  • Functionalized MWCNT
  • Heterogeneous catalysts
  • Hydrogen peroxide decomposition
  • Quantum chemical simulation

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Biomaterials
  • Surfaces, Coatings and Films
  • Colloid and Surface Chemistry

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    Voitko, K., Tóth, A., Demianenko, E., Dobos, G., Berke, B., Bakalinska, O., Grebenyuk, A., Tombácz, E., Kuts, V., Tarasenko, Y., Kartel, M., & László, K. (2015). Catalytic performance of carbon nanotubes in H2O2 decomposition: Experimental and quantum chemical study. Journal of colloid and interface science, 437, 283-290. https://doi.org/10.1016/j.jcis.2014.09.045