Improved electrochemical kinetics and rate performance of lithium-ion batteries by Li2FeS2−xFx cathode materials
Abstract Lithium iron sulfide (Li2FeS2) exhibits unique characteristics, including multielectron redox behavior and abundant valence states, making it a promising candidate for electrode material in lithium-ion batteries. However, the sluggish charge transfer kinetics, low stability, and slow rate p...
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Nature Portfolio
2025-07-01
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| Series: | Communications Materials |
| Online Access: | https://doi.org/10.1038/s43246-025-00866-4 |
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| author | Adane Gebresilassie Hailemariam Mohammad Qorbani Tadios Tesfaye Mamo Raghunath Putikam Chih-Yang Huang Khasim Saheb Bayikadi Heng-Liang Wu Ming-Chang Lin Li-Chyong Chen Kuei-Hsien Chen |
| author_facet | Adane Gebresilassie Hailemariam Mohammad Qorbani Tadios Tesfaye Mamo Raghunath Putikam Chih-Yang Huang Khasim Saheb Bayikadi Heng-Liang Wu Ming-Chang Lin Li-Chyong Chen Kuei-Hsien Chen |
| author_sort | Adane Gebresilassie Hailemariam |
| collection | DOAJ |
| description | Abstract Lithium iron sulfide (Li2FeS2) exhibits unique characteristics, including multielectron redox behavior and abundant valence states, making it a promising candidate for electrode material in lithium-ion batteries. However, the sluggish charge transfer kinetics, low stability, and slow rate performance hamper its practical application. Herein, we propose a strategy to boost the electrochemical performance of Li2FeS2 by substituting F dopants with S sites through a two-step solid-state process. The effects of F dopants on material characteristics and electrochemical behaviors are investigated. Experimental results show that F dopants significantly enhance diffusion kinetics and rate performance, indicating improved interfacial activity in Li2FeS2−xFx. Theoretical calculations confirm that F substitution occurs at the S site, enhancing charge mobility. After 100 cycles, the optimized Li2FeS2-xFx cathode exhibits a specific capacity of 250 mAh g−1, higher than pristine Li2FeS2. The improved electrochemical properties, diffusion kinetics, capacity, and rate performance are attributed to the enhanced structural stability from a stronger metal–fluorine bond compared to metal–sulfur, and increased Li+ ion diffusion due to a greater electronegativity difference. |
| format | Article |
| id | doaj-art-c3b4d3433d074b1ea2b8d4f4ce892bf7 |
| institution | DOAJ |
| issn | 2662-4443 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Communications Materials |
| spelling | doaj-art-c3b4d3433d074b1ea2b8d4f4ce892bf72025-08-20T03:05:10ZengNature PortfolioCommunications Materials2662-44432025-07-016111110.1038/s43246-025-00866-4Improved electrochemical kinetics and rate performance of lithium-ion batteries by Li2FeS2−xFx cathode materialsAdane Gebresilassie Hailemariam0Mohammad Qorbani1Tadios Tesfaye Mamo2Raghunath Putikam3Chih-Yang Huang4Khasim Saheb Bayikadi5Heng-Liang Wu6Ming-Chang Lin7Li-Chyong Chen8Kuei-Hsien Chen9Institute of Atomic and Molecular Sciences, Academia SinicaCenter for Condensed Matter Sciences, National Taiwan UniversityInstitute of Atomic and Molecular Sciences, Academia SinicaDepartment of Applied Chemistry, National Yang-Ming Chiao Tung UniversityCenter for Condensed Matter Sciences, National Taiwan UniversityDepartment of Chemistry, Northwestern UniversityCenter for Condensed Matter Sciences, National Taiwan UniversityDepartment of Applied Chemistry, National Yang-Ming Chiao Tung UniversityCenter for Condensed Matter Sciences, National Taiwan UniversityInstitute of Atomic and Molecular Sciences, Academia SinicaAbstract Lithium iron sulfide (Li2FeS2) exhibits unique characteristics, including multielectron redox behavior and abundant valence states, making it a promising candidate for electrode material in lithium-ion batteries. However, the sluggish charge transfer kinetics, low stability, and slow rate performance hamper its practical application. Herein, we propose a strategy to boost the electrochemical performance of Li2FeS2 by substituting F dopants with S sites through a two-step solid-state process. The effects of F dopants on material characteristics and electrochemical behaviors are investigated. Experimental results show that F dopants significantly enhance diffusion kinetics and rate performance, indicating improved interfacial activity in Li2FeS2−xFx. Theoretical calculations confirm that F substitution occurs at the S site, enhancing charge mobility. After 100 cycles, the optimized Li2FeS2-xFx cathode exhibits a specific capacity of 250 mAh g−1, higher than pristine Li2FeS2. The improved electrochemical properties, diffusion kinetics, capacity, and rate performance are attributed to the enhanced structural stability from a stronger metal–fluorine bond compared to metal–sulfur, and increased Li+ ion diffusion due to a greater electronegativity difference.https://doi.org/10.1038/s43246-025-00866-4 |
| spellingShingle | Adane Gebresilassie Hailemariam Mohammad Qorbani Tadios Tesfaye Mamo Raghunath Putikam Chih-Yang Huang Khasim Saheb Bayikadi Heng-Liang Wu Ming-Chang Lin Li-Chyong Chen Kuei-Hsien Chen Improved electrochemical kinetics and rate performance of lithium-ion batteries by Li2FeS2−xFx cathode materials Communications Materials |
| title | Improved electrochemical kinetics and rate performance of lithium-ion batteries by Li2FeS2−xFx cathode materials |
| title_full | Improved electrochemical kinetics and rate performance of lithium-ion batteries by Li2FeS2−xFx cathode materials |
| title_fullStr | Improved electrochemical kinetics and rate performance of lithium-ion batteries by Li2FeS2−xFx cathode materials |
| title_full_unstemmed | Improved electrochemical kinetics and rate performance of lithium-ion batteries by Li2FeS2−xFx cathode materials |
| title_short | Improved electrochemical kinetics and rate performance of lithium-ion batteries by Li2FeS2−xFx cathode materials |
| title_sort | improved electrochemical kinetics and rate performance of lithium ion batteries by li2fes2 xfx cathode materials |
| url | https://doi.org/10.1038/s43246-025-00866-4 |
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