Impregnation of Se<sub>2</sub>S<sub>6</sub> into a Nitrogen- and Sulfur-Co-Doped Functional Metal Carbides and Nitrides for High-Performance Li-S Batteries

In this study, nitrogen- and sulfur-co-doped MXene (NS-MXene) was developed as a high-performance cathode material for lithium–sulfur (Li-S) batteries. Heterocyclic Se<sub>2</sub>S<sub>6</sub> molecules were successfully confined within the NS-MXene structure using a simple m...

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Main Authors: Lu Chen, Zhongyuan Zheng, Shuo Meng, Wenwei Wu, Weicheng Zhou, Shanshan Yang, Kexuan Liao, Yuanhui Zuo, Ting He
Format: Article
Language:English
Published: MDPI AG 2025-02-01
Series:Molecules
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Online Access:https://www.mdpi.com/1420-3049/30/5/1070
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author Lu Chen
Zhongyuan Zheng
Shuo Meng
Wenwei Wu
Weicheng Zhou
Shanshan Yang
Kexuan Liao
Yuanhui Zuo
Ting He
author_facet Lu Chen
Zhongyuan Zheng
Shuo Meng
Wenwei Wu
Weicheng Zhou
Shanshan Yang
Kexuan Liao
Yuanhui Zuo
Ting He
author_sort Lu Chen
collection DOAJ
description In this study, nitrogen- and sulfur-co-doped MXene (NS-MXene) was developed as a high-performance cathode material for lithium–sulfur (Li-S) batteries. Heterocyclic Se<sub>2</sub>S<sub>6</sub> molecules were successfully confined within the NS-MXene structure using a simple melt impregnation method. The resulting NS-MXene exhibited a unique wrinkled morphology with a stable structure which facilitated rapid ion transport and provided a physical barrier to mitigate the shuttle effect of polysulfide. The introduction of nitrogen and sulfur heteroatoms into the MXene structure not only shifted the Ti d-band center towards the Fermi level but also significantly polarizes the MXene, enhancing the conversion kinetics and ion diffusion capability while preventing the accumulation of Li<sub>2</sub>S<sub>6</sub>. Additionally, the incorporation of Se and S in Se<sub>2</sub>S<sub>6</sub> improved the conductivity compared to S alone, resulting in reduced polarization and enhanced electrical properties. Consequently, NS-MXene/Se<sub>2</sub>S<sub>6</sub> exhibited excellent cycling stability, high reversible capacity, and reliable performance at high current densities and under extreme conditions, such as high sulfur loading and low electrolyte-to-sulfur ratios. This work presents a simple and effective strategy for designing heteroatom-doped MXene materials, offering promising potential for the development of high-performance, long-lasting Li-S batteries for practical applications.
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spelling doaj-art-e61c64f82f2c4f9b8eb37d813ea018022025-08-20T02:52:45ZengMDPI AGMolecules1420-30492025-02-01305107010.3390/molecules30051070Impregnation of Se<sub>2</sub>S<sub>6</sub> into a Nitrogen- and Sulfur-Co-Doped Functional Metal Carbides and Nitrides for High-Performance Li-S BatteriesLu Chen0Zhongyuan Zheng1Shuo Meng2Wenwei Wu3Weicheng Zhou4Shanshan Yang5Kexuan Liao6Yuanhui Zuo7Ting He8School of Chemical Science and Engineering, Tongji University, Siping Road 1239, Shanghai 200092, ChinaSchool of Chemistry and Chemical Engineering, Shanxi University, Wucheng Road 92, Taiyuan 030006, ChinaSchool of Chemical Science and Engineering, Tongji University, Siping Road 1239, Shanghai 200092, ChinaSchool of Chemical Science and Engineering, Tongji University, Siping Road 1239, Shanghai 200092, ChinaSchool of Chemical Science and Engineering, Tongji University, Siping Road 1239, Shanghai 200092, ChinaSchool of Chemical Science and Engineering, Tongji University, Siping Road 1239, Shanghai 200092, ChinaTsinghua Center for Green Chemical Engineering Electrification (CCEE), Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University, Beijing 100084, ChinaInstitute of Wideband Semiconductor Materials and Devices, Fudan University, Ningbo 315327, ChinaSchool of Chemical Science and Engineering, Tongji University, Siping Road 1239, Shanghai 200092, ChinaIn this study, nitrogen- and sulfur-co-doped MXene (NS-MXene) was developed as a high-performance cathode material for lithium–sulfur (Li-S) batteries. Heterocyclic Se<sub>2</sub>S<sub>6</sub> molecules were successfully confined within the NS-MXene structure using a simple melt impregnation method. The resulting NS-MXene exhibited a unique wrinkled morphology with a stable structure which facilitated rapid ion transport and provided a physical barrier to mitigate the shuttle effect of polysulfide. The introduction of nitrogen and sulfur heteroatoms into the MXene structure not only shifted the Ti d-band center towards the Fermi level but also significantly polarizes the MXene, enhancing the conversion kinetics and ion diffusion capability while preventing the accumulation of Li<sub>2</sub>S<sub>6</sub>. Additionally, the incorporation of Se and S in Se<sub>2</sub>S<sub>6</sub> improved the conductivity compared to S alone, resulting in reduced polarization and enhanced electrical properties. Consequently, NS-MXene/Se<sub>2</sub>S<sub>6</sub> exhibited excellent cycling stability, high reversible capacity, and reliable performance at high current densities and under extreme conditions, such as high sulfur loading and low electrolyte-to-sulfur ratios. This work presents a simple and effective strategy for designing heteroatom-doped MXene materials, offering promising potential for the development of high-performance, long-lasting Li-S batteries for practical applications.https://www.mdpi.com/1420-3049/30/5/1070Se<sub>2</sub>S<sub>6</sub>heteroatom dopeMXenecathodeLi-S batteries
spellingShingle Lu Chen
Zhongyuan Zheng
Shuo Meng
Wenwei Wu
Weicheng Zhou
Shanshan Yang
Kexuan Liao
Yuanhui Zuo
Ting He
Impregnation of Se<sub>2</sub>S<sub>6</sub> into a Nitrogen- and Sulfur-Co-Doped Functional Metal Carbides and Nitrides for High-Performance Li-S Batteries
Molecules
Se<sub>2</sub>S<sub>6</sub>
heteroatom dope
MXene
cathode
Li-S batteries
title Impregnation of Se<sub>2</sub>S<sub>6</sub> into a Nitrogen- and Sulfur-Co-Doped Functional Metal Carbides and Nitrides for High-Performance Li-S Batteries
title_full Impregnation of Se<sub>2</sub>S<sub>6</sub> into a Nitrogen- and Sulfur-Co-Doped Functional Metal Carbides and Nitrides for High-Performance Li-S Batteries
title_fullStr Impregnation of Se<sub>2</sub>S<sub>6</sub> into a Nitrogen- and Sulfur-Co-Doped Functional Metal Carbides and Nitrides for High-Performance Li-S Batteries
title_full_unstemmed Impregnation of Se<sub>2</sub>S<sub>6</sub> into a Nitrogen- and Sulfur-Co-Doped Functional Metal Carbides and Nitrides for High-Performance Li-S Batteries
title_short Impregnation of Se<sub>2</sub>S<sub>6</sub> into a Nitrogen- and Sulfur-Co-Doped Functional Metal Carbides and Nitrides for High-Performance Li-S Batteries
title_sort impregnation of se sub 2 sub s sub 6 sub into a nitrogen and sulfur co doped functional metal carbides and nitrides for high performance li s batteries
topic Se<sub>2</sub>S<sub>6</sub>
heteroatom dope
MXene
cathode
Li-S batteries
url https://www.mdpi.com/1420-3049/30/5/1070
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