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Electrochemical and quantum chemical study of peculiarities of 2,5-di-Me-pyrazine-di-N- oxide oxidation in the presence of methanol at single-walled and multi-walled carbon nanotube paper electrodesстатья
- Авторы: Kulakovskaya S.I., Kulikov A.V., Zyubina T.S., Zyubin A.S., Sviridova L.N., Stenina E.V., Ryabenko A.G., Zolotukhina E.V., Dobrovolskiy Yu A.
- Журнал: Energy Advances
- Номер: 1
- Год издания: 2022
- Издательство: Royal Society of Chemistry
- Местоположение издательства: United Kingdom
- Первая страница: 45
- Последняя страница: 54
- DOI: 10.1039/D1YA00005E
- Аннотация: The use of methanol (MeOH) in direct methanol fuel cells explains the interest in the search for new electrode materials and catalysts that allow the oxidation of MeOH to be carried out under conditions that satisfy their practical application: low cost, stability, and high catalytic activity. In this work electrochemical and quantum chemical methods were used to study peculiarities of electrocatalytic system 2,5-di-Me-pyrazine-di-N-oxide - methanol at single-walled and multi-walled carbon nanotube (CNT) paper electrodes in comparison with glassy carbon (GC) electrode in 0.1 M Bu4NClO4 solution in acetonitrile (MeCN). Adsorption energies of MeOH, CH3COOH and H2O on CNT surface were determined by quantum chemical modeling; this opened the door to explanation of effects found in Pyr1 - MeOH catalytic system and to ascertainment of factors affecting the catalytic efficiency of the process at CNTs electrodes. We believe that this research will be helpful in using this process in electrocatalysis, sensors and in direct methanol fuel cells, since the deactivation of aromatic di-N-oxides (as opposed to processes involving noble metals or noble metal oxides) is insignificant.
- Добавил в систему: Свиридова Лиана Николаевна