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

Voitko, K. and Tóth, A. and Demianenko, E. and Dobos, G. and Berke, B. and Bakalinska, O. and Grebenyuk, A. and Tombácz, E. and Kuts, V. and Tarasenko, Y. and Kartel, M. and László, Krisztina (2015) Catalytic performance of carbon nanotubes in H2O2 decomposition: experimental and quantum chemical study. JOURNAL OF COLLOID AND INTERFACE SCIENCE, 437. pp. 283-290. ISSN 0021-9797

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Abstract

1521Budapest, Hungary 4 Department of Physical Chemistry and Material Science, University of Szeged, H-6720 Szeged, Aradi Vértanúk tere 1., Hungary 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 (~18.9 kJ/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.

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