Studying the Mechanism of the Electrocatalyic Reaction for Producing Molecular Hydrogen Using the N-Methyl-2,4,6-triphenylpyridinyl Cation According to DFT
- 作者: Dolganov A.V.1, Klimaeva L.A.1, Muryumin E.E.1, Yudina A.D.1, Zagorodnova A.S.1, Tankova A.V.1, Boikova T.V.1, Kovaleva Y.N.1, Knyazev A.V.2
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隶属关系:
- Ogareva Mordovian State University
- Lobachevsky State University
- 期: 卷 97, 编号 8 (2023)
- 页面: 1106-1110
- 栏目: ХИМИЧЕСКАЯ КИНЕТИКА И КАТАЛИЗ
- ##submission.dateSubmitted##: 26.02.2025
- ##submission.datePublished##: 01.08.2023
- URL: https://permmedjournal.ru/0044-4537/article/view/668675
- DOI: https://doi.org/10.31857/S004445372308006X
- EDN: https://elibrary.ru/QTUJEX
- ID: 668675
如何引用文章
详细
DFT is used to study thermodynamic aspects of the mechanism of the electrocatalytic formation of molecular hydrogen using N-methyl-2,4,6-triphenylpyridinyl cations. A structural and energetic analysis of the corresponding intermediate products is performed. It is shown that electrocatalytic formation proceeds through a stage of forming C2-protonated radical cations and their subsequent reduction.
作者简介
A. Dolganov
Ogareva Mordovian State University
Email: dolganov_sasha@mail.ru
430005, Saransk, Russia
L. Klimaeva
Ogareva Mordovian State University
Email: dolganov_sasha@mail.ru
430005, Saransk, Russia
E. Muryumin
Ogareva Mordovian State University
Email: dolganov_sasha@mail.ru
430005, Saransk, Russia
A. Yudina
Ogareva Mordovian State University
Email: dolganov_sasha@mail.ru
430005, Saransk, Russia
A. Zagorodnova
Ogareva Mordovian State University
Email: dolganov_sasha@mail.ru
430005, Saransk, Russia
A. Tankova
Ogareva Mordovian State University
Email: dolganov_sasha@mail.ru
430005, Saransk, Russia
T. Boikova
Ogareva Mordovian State University
Email: dolganov_sasha@mail.ru
430005, Saransk, Russia
Yu. Kovaleva
Ogareva Mordovian State University
Email: dolganov_sasha@mail.ru
430005, Saransk, Russia
A. Knyazev
Lobachevsky State University
编辑信件的主要联系方式.
Email: dolganov_sasha@mail.ru
603105, Nizhny Novgorod, Russia
参考
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