Regulating the d band in WS2@NC hierarchical nanospheres for efficient lithium polysulfide conversion in lithium-sulfur batteries

Liu, Jintao; Xiao, Shuhao; Chang, Le; Lai, Long‐Li; Wu, Rui; Xiang, Yong; Liu, Xingquan; Chen, Jun Song

doi:10.1016/j.jechem.2020.08.011

Cited by 55 publications

(36 citation statements)

References 58 publications

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“…After fitting, typical sulfur peaks appear at two positions at 163.85 and 164.99 eV, corresponding to S 2p3/2 and S 2p1/2, respectively. [42,43] A broad peak at 168.79 eV corresponds to the S 2p1/2 sulfate species. [44] To explore the electrochemical reaction process, the battery is tested by cyclic voltammetry (CV), the test voltage window is 1.5~3 V, and the scanning speed is 0.1 mV s À 1 .…”

Section: Resultsmentioning

confidence: 99%

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Large Scale Synthesis of Three‐dimensional Hierarchical Porous Framework with High Conductivity and its Application in Lithium Sulfur Battery

Wang

et al. 2021

Chemistry A European J

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Quick capacity loss due to the polysulfide shuttle effects and poor rate performance caused by low conductivity of sulfur have always been obstacles to the commercial application of lithium sulfur batteries. Herein, an in-situ doped hierarchical porous biochar materials with high electron-ion conductivity and adjustable three-dimensional (3D) macromeso-micropore is prepared successfully. Due to its unique physical structure, the resulting material has a specific surface area of 2124.9 m 2 g À 1 and a cumulative pore volume of 1.19 cm 3 g À 1 . The presence of micropores can effectively physically adsorb polysulfides and mesopores ensure the accessibility of lithium ions and active sites and give the porous carbon material a high specific surface area. The large pores provide channels for the storage of electrolyte and the transmission of ions on the surface of the substrate. The combined effect of these three kinds of pores and the N doping formed in-situ can effectively promote the cycle and rate performance of the battery. Therefore, prepared cathode can still reach a reversible discharge capacity of 616 mAh g À 1 at a rate of 5 C. After 400 charge-discharge cycles at 1 C, the reversible capacity is maintained at 510.0 mAh g À 1 . This new strategy has provided a new approach to the research and industrial-scale production of adjustable hierarchical porous biochar materials.

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Section: Resultsmentioning

confidence: 99%

“…In addition, Figure 3d shows the S2p spectrum. After fitting, typical sulfur peaks appear at two positions at 163.85 and 164.99 eV, corresponding to S 2p3/2 and S 2p1/2, respectively [42,43] . A broad peak at 168.79 eV corresponds to the S 2p1/2 sulfate species [44]…”

Section: Resultsmentioning

confidence: 99%

Large Scale Synthesis of Three‐dimensional Hierarchical Porous Framework with High Conductivity and its Application in Lithium Sulfur Battery

Wang

et al. 2021

Chemistry A European J

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“…For example, the alteration of cations in sulfide could modulate the hybridization of d-p orbital between metal in disulfide and sulfur in LiPSs. 138 The calculation results show that W cation promotes the hybridization of d-p orbitals and decreases the energy gap between bonding and antibonding orbitals. The reduced gap facilitates the electron transfer and thereby promotes the LiPSs interfacial redox reactions (Figure 12C).…”

Section: Design Strategiesmentioning

confidence: 95%

Section: Applications Of Theoretical Modelsmentioning

confidence: 99%

A review on theoretical models for lithium–sulfur battery cathodes

Feng

Chen

et al. 2022

InfoMat

191

119

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Lithium-sulfur (Li-S) batteries have been considered as promising battery systems due to their huge advantages on theoretical energy density and rich resources. However, the shuttle effect and sluggish transformation of soluble lithium polysulfides (LiPSs) hinder the practical application of Li-S batteries.Tremendous sulfur host materials with unique catalytic activity have been exploited to inhibit the shuttle effect and accelerate LiPSs redox reactions, in which theoretical simulations have been widely adopted. This review aims to summarize the fundamentals and applications of theoretical models in sulfur cathodes. Concretely, the integration of theoretical models provides insights into the adsorption and conversion mechanisms of LiPSs and is further utilized in the smart design of catalysts for the exploitation of practical Li-S batteries. Finally, a perspective on the future combination of calculation technology and theoretical models is provided.

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“…[50] As we know, the strong catalytic activity of metal sulfides has been confirmed by Zhang et al [296] and Cui's group. [297] Various metal sulfides such as ReS 2 , [298] MoS 2 , [110] CoS 2 , [299] Mo 2 S 3 , [300] Ni 3 S 2 , [301] FeS, [302] Fe 1−x S, [303] SnS 2 , [12] NiS 2 , [304] WS 2 , [305] and Co 9 S 8 [247] have been thoroughly investigated to avoid shuttling, due to their strong abilities for LiPSs adsorption following by their subsequent electrocatalytic redox reaction. Incorporating metal sulfides with CSs will further enhance the catalytic effect because CSs provide higher surface area and total pore volume.…”

Section: Metal and Metal Compoundsmentioning

confidence: 99%

Customized Structure Design and Functional Mechanism Analysis of Carbon Spheres for Advanced Lithium–Sulfur Batteries

Kang

Tian

Yan

et al. 2022

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Regulating the d band in WS2@NC hierarchical nanospheres for efficient lithium polysulfide conversion in lithium-sulfur batteries

Cited by 55 publications

References 58 publications

Large Scale Synthesis of Three‐dimensional Hierarchical Porous Framework with High Conductivity and its Application in Lithium Sulfur Battery

Large Scale Synthesis of Three‐dimensional Hierarchical Porous Framework with High Conductivity and its Application in Lithium Sulfur Battery

A review on theoretical models for lithium–sulfur battery cathodes

Customized Structure Design and Functional Mechanism Analysis of Carbon Spheres for Advanced Lithium–Sulfur Batteries

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