TY  - JOUR
AU  - Kulakovskaya, Svetlana I.
AU  - Zyubina, Tatyana S.
AU  - Zyubin, Alexander S.
AU  - Kulikov, Alexander V.
AU  - Dobrovolskiy, Yuriy A.
PY  - 2026
DA  - 2026/01/26
TI  - Promising Electrocatalytic Systems 2,5-di-Me-Pyrazine-di-N-Oxide - Cyclohexanol - Single-Walled and Multi-Walled Carbon Nanotubes for the Simultaneous Metal-Free Oxidation of Cyclohexanol at Anode and Release of Hydrogen Evolution at Cathode
JO  - Catalysis Research
SP  - 003
VL  - 06
IS  - 01
AB  - Electrocatalytic oxidation of organic compound in the absence of noble metals or their oxides as catalysts and using metal-free electrodes is a "green" electrochemical, inexpensive and attractive process for practical use in electrocatalysis, power sources and sensors. The process accompanied by the elimination of protons, is of interest both for obtaining valuable organic compounds at the anode and for the release of hydrogen evolution at the cathode. In this work, the catalytic oxidation of cyclohexanol in the presence of 2,5-di-Me-pyrazine-di-N-oxide (Pyr1), as mediator, at glassy carbon (GC) electrode and single-walled carbon nanotube (SWCNT) and multi-walled carbon nanotube (MWCNT) paper electrodes in 0.1 M Bu4NClO4 solution in acetonitrile (MeCN) was studied using cyclic voltammetry (CV) and quantum chemical modeling. It was found that the catalytic efficiency of cyclohexanol oxidation at MWCNT and SWCNT paper electrodes is 20 and 32, respectively, which is an order of magnitude higher compared to GC electrode. This effect is explained by quantum chemical modeling and calculation of the energies of non-covalent interactions between the components of the electrocatalytic system in the complexes C6H11OH*Bu4NClO4, MeCN*Bu4NClO4, Pyr1*C6H11OH, C6H11OH*C6H11OH and C6H11OH*MeCN in solution, as well as the energies of adsorption of C6H11OH and the complexes of Pyr1*C6H11OH, C6H11OH*Bu4NClO4 on the CNT surface using a cluster model describing the surface of conductive carbon nanotubes (10, 10). The high catalytic efficiency of cyclohexanol oxidation at SWCNT and MWCNT paper electrodes indicates the potential of using the studied catalytic systems for simultaneous obtaining valuable organic compounds at the anode and for the release of hydrogen evolution at the cathode as well as in electrocatalysis, power sources, sensors.
SN  - 2771-490X
UR  - https://doi.org/10.21926/cr.2601003
DO  - 10.21926/cr.2601003
ID  - Kulakovskaya2026
ER  -