Dredging sodium polysulfides using a Fe<sub>3</sub>C electrocatalyst to realize improved room-temperature Na–S batteries

Huang, Xiang Long; Hussain, Tanveer; Kaewmaraya, Thanayut; Xu, Maowen; Liu, Huan; Dou, Shi Xue; Wang, Zhiming M.

doi:10.1039/d3qi00661a

Cited by 4 publications

(1 citation statement)

References 55 publications

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“…Figure exclusively assembles the lowest-energy atomic configurations of Li 2 S n adsorbed on MoS 2 and MoS 2 /C12A7:e – . One can see that S 8 energetically adopted the parallel orientation on both MoS 2 and MoS 2 /C12A7:e – for intensifying the interfacial interaction, resembling the horizontal adsorption configuration observed in 2D anchoring materials such as graphene, black phosphorene, Fe 3 C, and MXenes . The bond distances from S 8 to MoS 2 (MoS 2 /C12A7:e – ) are 3.37 (3.27) Å which are twice the atomic radius of S (1.00 Å) .…”

Section: Resultsmentioning

confidence: 65%

MoS₂/Mayenite Electride Hybrid as a Cathode Host for Suppressing Polysulfide Shuttling and Promoting Kinetics in Lithium–Sulfur Batteries

Thatsami,

Tangpakonsab,

Sikam

et al. 2024

ACS Appl. Mater. Interfaces

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The commercial viability of emerging lithium−sulfur batteries (LSBs) remains greatly hindered by short lifespans caused by electrically insulating sulfur, lithium polysulfides (Li 2 S n ; 1 ≤ n ≤ 8) shuttling, and sluggish sulfur reduction reactions (SRRs). This work proposes the utilization of a hybrid composed of sulfiphilic MoS 2 and mayenite electride (C12A7:e − ) as a cathode host to address these challenges. Specifically, abundant cement-based C12A7:e − is the most stable inorganic electride, possessing the ultimate electrical conductivity and low work function. Through density functional theory simulations, the key aspects of the MoS 2 /C12A7:e − hybrid including electronic properties, interfacial binding with Li 2 S n , Li + diffusion, and SRR have been unraveled. Our findings reveal the rational rules for MoS 2 as an efficient cathode host by enhancing its mutual electrical conductivity and surface polarity via MoS 2 /C12A7:e − . The improved electrical conductivity of MoS 2 is attributed to the electron donation from C12A7:e − to MoS 2 , yielding a semiconductor-to-metal transition. The resultant band positions of MoS 2 /C12A7:e − are well matched with those of conventional current-collecting materials (i.e., Cu and Ni), electrochemically enhancing the electronic transport. The accepted charge also intensifies MoS 2 surface polarity for attracting polar Li 2 S n by forming stronger bonds with Li 2 S n via ionic Li−S bonds than electrolytes with Li 2 S n , thereby preventing polysulfide shuttling. Importantly, MoS 2 /C12A7:e − not only promotes rapid reaction kinetics by reducing ionic diffusion barriers but also lowers the Gibbs free energies of the SRR for effective S 8 -to-Li 2 S conversion. Beyond the reported applications of C12A7:e − , this work highlights its functionality as an electrode material to boost the efficiency of LSBs.

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Section: Resultsmentioning

confidence: 65%

MoS₂/Mayenite Electride Hybrid as a Cathode Host for Suppressing Polysulfide Shuttling and Promoting Kinetics in Lithium–Sulfur Batteries

Thatsami,

Tangpakonsab,

Sikam

et al. 2024

ACS Appl. Mater. Interfaces

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Development of Synergistically Efficient Ni–Co Pair Catalytic Sites for Enhanced Polysulfide Conversion in Lithium–Sulfur Batteries

Zhao,

Huo,

Yang

et al. 2024

Adv Funct Materials

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The performance of Lithium–sulfur (Li–S) batteries is constrained by the migration of lithium polysulfide (LiPS), the slow conversion of LiPS, and the significant reaction barrier encountered during the precipitation/dissolution of Li2S throughout the discharge/charge cycle. In this contribution, the study presents Ni–Co dual‐atom catalytic sites on hollow nitrogen‐doped carbon (NiCoNC). Theoretical calculations and experimental data reveal that the dual‐atom catalysts (DACs) accelerate the kinetic conversion of LiPSs and facilitate the formation/decomposition of Li2S during discharging and charging, which minimizes LiPS migration. Consequently, the utilization of S/NiCoNC cathodes manifests a substantial initial capacity of 1348.5 mAh g−1 at 0.1 C, exceptional cycling stability with an average capacity degradation rate of 0.028% per cycle over 900 cycles at 0.5 C, and noteworthy rate capability with a capacity of 626 mAh g−1 at 2 C. Electrodes with a higher sulfur loading of 4.5 mg cm−2 and a low electrolyte/sulfur ratio of 8 µL mg−1 exhibit exceptional specific capacities of up to 1236 mAh g−1 at 0.1 C, as well as noteworthy capacity retention of 494.2 mAh g−1 after 200 cycles at 0.2 C. This study effectively showcases the potential of DACs as catalysts for sulfur cathodes, thereby enhancing the overall performance of Li–S batteries.

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A Critical Review on Room‐Temperature Sodium‐Sulfur Batteries: From Research Advances to Practical Perspectives

Zhao,

Tao,

Zhang

et al. 2024

Advanced Materials

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Room‐temperature sodium‐sulfur (RT‐Na/S) batteries are promising alternatives for next‐generation energy storage systems with high energy density and high power density. However, some notorious issues are hampering the practical application of RT‐Na/S batteries. Besides, the working mechanism of RT‐Na/S batteries under practical conditions such as high sulfur loading, lean electrolyte, and low capacity ratio between the negative and positive electrode (N/P ratio), is of essential importance for practical applications, yet the significance of these parameters has long been disregarded. Herein, we comprehensively review recent advances on Na metal anode, S cathode, electrolyte, and separator engineering for RT‐Na/S batteries. The discrepancies between laboratory research and practical conditions are elaborately discussed, endeavors toward practical applications are highlighted, and suggestions for the practical values of the crucial parameters are rationally proposed. Furthermore, an empirical equation to estimate the actual energy density of RT‐Na/S pouch cells under practical conditions is rationally proposed for the first time, making it possible to evaluate the gravimetric energy density of the cells under practical conditions. This review aims to reemphasize the vital importance of the crucial parameters for RT‐Na/S batteries to bridge the gaps between laboratory research and practical applications.This article is protected by copyright. All rights reserved

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Dredging sodium polysulfides using a Fe₃C electrocatalyst to realize improved room-temperature Na–S batteries

Abstract: The shuttle effect of soluble polysulfides is a critical challenge that hinders the realization of pragmatic room-temperature sodium–sulfur (RT Na–S) batteries.

Cited by 4 publications

References 55 publications

MoS₂/Mayenite Electride Hybrid as a Cathode Host for Suppressing Polysulfide Shuttling and Promoting Kinetics in Lithium–Sulfur Batteries

MoS₂/Mayenite Electride Hybrid as a Cathode Host for Suppressing Polysulfide Shuttling and Promoting Kinetics in Lithium–Sulfur Batteries

Development of Synergistically Efficient Ni–Co Pair Catalytic Sites for Enhanced Polysulfide Conversion in Lithium–Sulfur Batteries

A Critical Review on Room‐Temperature Sodium‐Sulfur Batteries: From Research Advances to Practical Perspectives

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Dredging sodium polysulfides using a Fe3C electrocatalyst to realize improved room-temperature Na–S batteries

Abstract: The shuttle effect of soluble polysulfides is a critical challenge that hinders the realization of pragmatic room-temperature sodium–sulfur (RT Na–S) batteries.

Cited by 4 publications

References 55 publications

MoS2/Mayenite Electride Hybrid as a Cathode Host for Suppressing Polysulfide Shuttling and Promoting Kinetics in Lithium–Sulfur Batteries

MoS2/Mayenite Electride Hybrid as a Cathode Host for Suppressing Polysulfide Shuttling and Promoting Kinetics in Lithium–Sulfur Batteries

Development of Synergistically Efficient Ni–Co Pair Catalytic Sites for Enhanced Polysulfide Conversion in Lithium–Sulfur Batteries

A Critical Review on Room‐Temperature Sodium‐Sulfur Batteries: From Research Advances to Practical Perspectives

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Dredging sodium polysulfides using a Fe₃C electrocatalyst to realize improved room-temperature Na–S batteries

MoS₂/Mayenite Electride Hybrid as a Cathode Host for Suppressing Polysulfide Shuttling and Promoting Kinetics in Lithium–Sulfur Batteries

MoS₂/Mayenite Electride Hybrid as a Cathode Host for Suppressing Polysulfide Shuttling and Promoting Kinetics in Lithium–Sulfur Batteries