Computational Modeling of Doped 2D Anode Materials for Lithium-Ion Batteries
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Computational Modeling of Doped 2D Anode Materials for Lithium-Ion Batteries
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| Автор |
Galashev, A.
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| Тематика |
COPPER
FIRST-PRINCIPLE CALCULATIONS GRAPHITE LITHIUM ION BATTERY MOLECULAR DYNAMICS NICKEL NITROGEN SILICENE SPECTRUM OF ELECTRONIC STATES TRANSMUTATION DOPING ANODES AUTOMOTIVE INDUSTRY CHARGING (BATTERIES) COPPER IONS LITHIUM-ION BATTERIES NITROGEN SILICENE ANODE MATERIAL ANODE MATERIAL FOR LITHIUM ION BATTERIES COMPUTATIONAL MODELLING ELECTRONICS DEVICES FIRST PRINCIPLE CALCULATIONS HIGH-PERFORMANCE LITHIUM-ION BATTERIES SILICENE SPECTRA'S SPECTRUM OF ELECTRONIC STATE TRANSMUTATION DOPING MOLECULAR DYNAMICS |
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| Описание |
Development of high-performance lithium-ion batteries (LIBs) is boosted by the needs of the modern automotive industry and the wide expansion of all kinds of electronic devices. First of all, improvements should be associated with an increase in the specific capacity and charging rate as well as the cyclic stability of electrode materials. The complexity of experimental anode material selection is now the main limiting factor in improving LIB performance. Computer selection of anode materials based on first-principles and classical molecular dynamics modeling can be considered as the main paths to success. However, even combined anodes cannot always provide high LIB characteristics and it is necessary to resort to their alloying. Transmutation neutron doping (NTD) is the most appropriate way to improve the properties of thin film silicon anodes. In this review, the effectiveness of the NTD procedure for silicene/graphite (nickel) anodes is shown. With moderate P doping (up to 6%), the increase in the capacity of a silicene channel on a Ni substrate can be 15–20%, while maintaining the safety margin of silicene during cycling. This review can serve as a starting point for meaningful selection and optimization of the performance of anode materials. © 2023 by the author.
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| Дата |
2024-04-05T16:33:26Z
2024-04-05T16:33:26Z 2023 |
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| Тип |
Review
Review (info:eu-repo/semantics/review) |info:eu-repo/semantics/publishedVersion |
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| Идентификатор |
Galashev, A 2023, 'Computational Modeling of Doped 2D Anode Materials for Lithium-Ion Batteries', Materials, Том. 16, № 2, 704. https://doi.org/10.3390/ma16020704
Galashev, A. (2023). Computational Modeling of Doped 2D Anode Materials for Lithium-Ion Batteries. Materials, 16(2), [704]. https://doi.org/10.3390/ma16020704 1996-1944 Final All Open Access, Gold, Green https://www.scopus.com/inward/record.uri?eid=2-s2.0-85146581276&doi=10.3390%2fma16020704&partnerID=40&md5=6f3003ed36d0b5d45e5637e6a361c457 https://www.mdpi.com/1996-1944/16/2/704/pdf?version=1673418804 http://elar.urfu.ru/handle/10995/130814 10.3390/ma16020704 85146581276 000927723500001 |
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| Язык |
en
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| Права |
Open access (info:eu-repo/semantics/openAccess)
cc-by https://creativecommons.org/licenses/by/4.0/ |
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| Формат |
application/pdf
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| Издатель |
MDPI
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| Источник |
Materials
Materials |
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