Carbon Defects Applied to Alkali-Ion Batteries: A Density Functional Theory Study Full article
| Journal |
Russian Journal of Physical Chemistry A
ISSN: 0036-0244 , E-ISSN: 1531-863X |
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| Output data | Year: 2025, Volume: 99, Number: 6, Pages: 1335–1341 Pages count : 7 DOI: 10.1134/S0036024425700694 | ||||
| Tags | density functional theory, alkali metals, carbon anodes, defects, alkali-ion batteries | ||||
| Authors |
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| Affiliations |
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Funding (1)
| 1 | Ministry of Science and Higher Education of the Russian Federation | FWUR-2024-0039 |
Abstract:
The study investigates the adsorption properties of alkali metals (Li, Na, K) on defective carbon surfaces using density functional theory. Various types of defects are considered, including single vacancies and nitrogen doping. The results demonstrate that the presence of defects significantly enhances the adsorption energy, with nitrogen doping in particular intensifying the interaction with alkali metals. This effect could potentially improve the performance of alkali-ion batteries, enabling higher capacity.
Cite:
Sukhachev R.A.
, Mamonova M.V.
, Prudnikov P.V.
, Lavrenov A.V.
Carbon Defects Applied to Alkali-Ion Batteries: A Density Functional Theory Study
Russian Journal of Physical Chemistry A. 2025. V.99. N6. P.1335–1341. DOI: 10.1134/S0036024425700694 publication_identifier_short.sciact_ihcp_identifier_type
Carbon Defects Applied to Alkali-Ion Batteries: A Density Functional Theory Study
Russian Journal of Physical Chemistry A. 2025. V.99. N6. P.1335–1341. DOI: 10.1134/S0036024425700694 publication_identifier_short.sciact_ihcp_identifier_type
Dates:
| Submitted: | Dec 17, 2024 |
| Accepted: | Jan 27, 2025 |
| Published print: | Jun 15, 2025 |
| Published online: | Jun 15, 2025 |
Identifiers:
| publication_identifier.sciact_ihcp_identifier_type: | 4472 |
Citing:
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