A bifunctional electrolyte additive ammonium hexafluorophosphate for long cycle life lithium-sulfur batteries

Qiu, Heyu; Song, Ying; Gu, Jiahao; Li, Zhaoyang; Zheng, Jinyun; Wang, Mengran; Hong, Bo; Li, J. F.; Lai, Yanqing

doi:10.1016/j.matlet.2023.134986

Cited by 3 publications

(1 citation statement)

References 5 publications

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“…[3][4][5][6] However, the stubborn issues, including low conductivity and huge volume expansion of sulfur as well as shuttle effect have deeply hinder the commercial process of LSBs [7][8][9][10] . In order to overcome these obstacles, many strategies have been explored in the past several years, including composite cathode, [11,12] separators modifying, [13,14] electrolyte additives [15,16] and so on. Amongst them, carbonaceous materials with high electrical conductivity have been incorporated with sulfur to offset the insulating nature of sulfur-based electrodes.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Identification on Typical Fe₃X (X=B, C, N) Compounds for Polysulfide Conversion in Lithium‐Sulfur Batteries

Sun,

Qian,

Guo

et al. 2024

Eur J Inorg Chem

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Li‐S batteries (LSBs) are considered as the attractive candidates for next‐generation high‐energy system due to their high energy and low cost. However, their practical application is hindered by several stubborn issues, including the poor electric conductivity of sulfur cathodes, the shuttle of lithium polysulfides (LiPSs) and the slow dynamics during charge/discharge cycles. Transitional iron (Fe)‐based compounds are regarded as effectively electrocatalysts for polysulfide conversion by accelerating the reaction kinetics and enhancing the electric conductivity electron/charge transfer. In this study, we investigate the typical transition Fe‐based compounds (Fe3X, X = B, C, N) known for their high catalytic ability and analyze their roles as sulfur host for LSBs using density functional theory (DFT). Our finding reveal that Fe3C and Fe3B surfaces exhibit more Fe‐S bonds compared to Fe3N surface, which explains the different electrochemical behaviors observed during battery testing with sulfur cathode. Additionally, Fe3N demonstrates greater structural stability and effective polysulfide adsorption according to DFT calculations, outperforming the other two compounds in these aspects. We believe that this theoretical investigation will guide the identification of highly efficient hosts for sulfur cathodes and open new avenues for sulfur host selection in LSBs.

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Section: Introductionmentioning

confidence: 99%

Theoretical Identification on Typical Fe₃X (X=B, C, N) Compounds for Polysulfide Conversion in Lithium‐Sulfur Batteries

Sun,

Qian,

Guo

et al. 2024

Eur J Inorg Chem

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show abstract

Carbon/graphene quantum dots as electrolyte additives for batteries and supercapacitors: A review

Shaker,

Ng,

Sadeghi Ghazvini

et al. 2024

Journal of Energy Storage

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Novel composite electrolyte additive for enhancing the thermal and cycling stability of SiO/C anode Li-ion battery

Wang,

Gao

et al. 2024

Process Safety and Environmental Protection

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A bifunctional electrolyte additive ammonium hexafluorophosphate for long cycle life lithium-sulfur batteries

Cited by 3 publications

References 5 publications

Theoretical Identification on Typical Fe₃X (X=B, C, N) Compounds for Polysulfide Conversion in Lithium‐Sulfur Batteries

Theoretical Identification on Typical Fe₃X (X=B, C, N) Compounds for Polysulfide Conversion in Lithium‐Sulfur Batteries

Carbon/graphene quantum dots as electrolyte additives for batteries and supercapacitors: A review

Novel composite electrolyte additive for enhancing the thermal and cycling stability of SiO/C anode Li-ion battery

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A bifunctional electrolyte additive ammonium hexafluorophosphate for long cycle life lithium-sulfur batteries

Cited by 3 publications

References 5 publications

Theoretical Identification on Typical Fe3X (X=B, C, N) Compounds for Polysulfide Conversion in Lithium‐Sulfur Batteries

Theoretical Identification on Typical Fe3X (X=B, C, N) Compounds for Polysulfide Conversion in Lithium‐Sulfur Batteries

Carbon/graphene quantum dots as electrolyte additives for batteries and supercapacitors: A review

Novel composite electrolyte additive for enhancing the thermal and cycling stability of SiO/C anode Li-ion battery

Contact Info

Product

Resources

About

Theoretical Identification on Typical Fe₃X (X=B, C, N) Compounds for Polysulfide Conversion in Lithium‐Sulfur Batteries

Theoretical Identification on Typical Fe₃X (X=B, C, N) Compounds for Polysulfide Conversion in Lithium‐Sulfur Batteries