Studying the Mechanism of the Electrocatalyic Reaction for Producing Molecular Hydrogen Using the N-Methyl-2,4,6-triphenylpyridinyl Cation According to DFT
| Dublin Core | PKP Metadata Items | Metadata for this Document | |
| 1. | Title | Title of document | Studying the Mechanism of the Electrocatalyic Reaction for Producing Molecular Hydrogen Using the N-Methyl-2,4,6-triphenylpyridinyl Cation According to DFT |
| 2. | Creator | Author's name, affiliation, country | A. V. Dolganov; Ogareva Mordovian State University |
| 2. | Creator | Author's name, affiliation, country | L. A. Klimaeva; Ogareva Mordovian State University |
| 2. | Creator | Author's name, affiliation, country | E. E. Muryumin; Ogareva Mordovian State University |
| 2. | Creator | Author's name, affiliation, country | A. D. Yudina; Ogareva Mordovian State University |
| 2. | Creator | Author's name, affiliation, country | A. S. Zagorodnova; Ogareva Mordovian State University |
| 2. | Creator | Author's name, affiliation, country | A. V. Tankova; Ogareva Mordovian State University |
| 2. | Creator | Author's name, affiliation, country | T. V. Boikova; Ogareva Mordovian State University |
| 2. | Creator | Author's name, affiliation, country | Yu. N. Kovaleva; Ogareva Mordovian State University |
| 2. | Creator | Author's name, affiliation, country | A. V. Knyazev; Lobachevsky State University |
| 3. | Subject | Discipline(s) | |
| 3. | Subject | Keyword(s) | triarylpyridinium salts; redox properties; electrochemical reduction; metal-free electrocatalysts |
| 4. | Description | Abstract | 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. |
| 5. | Publisher | Organizing agency, location | The Russian Academy of Sciences |
| 6. | Contributor | Sponsor(s) |
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| 7. | Date | (DD-MM-YYYY) | 01.08.2023 |
| 8. | Type | Status & genre | Peer-reviewed Article |
| 8. | Type | Type | Unknown |
| 9. | Format | File format | |
| 10. | Identifier | Uniform Resource Identifier | https://modernonco.orscience.ru/0044-4537/article/view/668675 |
| 10. | Identifier | Digital Object Identifier (DOI) | 10.31857/S004445372308006X |
| 10. | Identifier | eLIBRARY Document Number (EDN) | QTUJEX |
| 11. | Source | Title; vol., no. (year) | Russian Journal of Physical Chemistry A; Vol 97, No 8 (2023) |
| 12. | Language | English=en | |
| 13. | Relation | Supp. Files |
(75KB) (103KB) (31KB) (22KB) |
| 14. | Coverage | Geo-spatial location, chronological period, research sample (gender, age, etc.) | |
| 15. | Rights | Copyright and permissions |
Copyright (c) 2023 А.В. Долганов, Л.А. Климаева, Е.Е. Мурюмин, А.Д. Юдина, А.С. Загороднова, А.В. Танкова, Т.В. Бойкова, Ю.Н. Ковалева, А.В. Князев |