Cooperative chemisorption of polysulfides via 2D hexagonal WS2-rimmed Co9S8 heterostructures for lithium–sulfur batteries

Zhang, Chao Yue; Lu, Zhong Wei; Wang, Yu Hai; Dai, Zhe; Zhao, Hao; Sun, Geng Zhi; Lan, Wei; Pan, Xiao Jun; Zhou, Jin; Xie, Erqing

doi:10.1016/j.cej.2019.123734

Cited by 50 publications

(11 citation statements)

References 69 publications

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“…Furthermore, the solid–liquid nucleation behaviors of Li 2 S in the different cathodes are studied as well based on the time-dependent current changes of Li 2 S 8 /tetraethylene glycol dimethyl ether (TEGDME) catholyte. 48 The cells are galvanostatically discharged to 2.06 V, potentiostatically discharged at 2.05 V, and maintained at this state until the response current falls below 10 −6 A. On the basis of Faraday's law of electrolysis, 49 the Li 2 S nucleation capacities of V 3 S 4 @C-6, V 3 S 4 @C-7, and V 3 S 4 @C-7 are ∼71.5, ∼95.1, and ∼65.1 mA h g −1 , respectively (Fig.…”

Section: Resultsmentioning

confidence: 99%

Few-layered V₂C MXene derived 3D V₃S₄nanocrystal functionalized carbon flakes boosting polysulfide adsorption and catalytic conversion towards Li–S batteries

et al. 2022

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Section: Resultsmentioning

confidence: 99%

Few-layered V₂C MXene derived 3D V₃S₄nanocrystal functionalized carbon flakes boosting polysulfide adsorption and catalytic conversion towards Li–S batteries

et al. 2022

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“…To further reinforce the application prospect of WS 2 in LSBs, WS 2 is always combined with other materials to achieve a high sulfur loading or strong inhibition towards polysulfides [169,170]. For instance, WS 2 was used to combine with Co 9 S 8 and formed the WS 2 -rimmed Co 9 S 8 heterostructure nanoflakes [171], which was then embedded in the CNF nanofibrous skeleton by electrospinning ( Fig. 12a-d).…”

Section: Lithium Sulfur Batteries (Lsbs)mentioning

confidence: 99%

Tungsten disulfide: synthesis and applications in electrochemical energy storage and conversion

et al. 2020

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Recently, two-dimensional transition metal dichalcogenides, particularly WS 2 , raised extensive interest due to its extraordinary physicochemical properties. With the merits of low costs and prominent properties such as high anisotropy and distinct crystal structure, WS 2 is regarded as a competent substitute in the construction of next-generation environmentally benign energy storage and conversion devices. In this review, we begin with the fundamental studies of the structure, properties and preparation of WS 2 , followed by detailed discussions on the development of various WS 2 and WS 2-based composites for electrochemical energy storage and conversion applications. In the end, some prospective prospects and promising developments of WS 2 in these fields are proposed.

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“…However, few host materials exhibit poor conductivities, causing electron-transfer barriers and electrode polarization . Recently, two-dimensional layered materials have been proposed to possess moderate adsorption for Li 2 S n and fast electron transfer, while exhibiting excellent cyclic stability with the incorporation of active sulfur. − Suitable sulfur host materials from two-dimensional layered materials are essential, but their discovery is challenging.…”

Section: Introductionmentioning

confidence: 99%

Machine-Learning-Enabled Tricks of the Trade for Rapid Host Material Discovery in Li–S Battery

Zhang

Wang

Cai

et al. 2021

ACS Appl. Mater. Interfaces

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The shuttle effect has been a major obstacle to the development of lithium–sulfur batteries. The discovery of new host materials is essential, but lengthy and complex experimental studies are inefficient for the identification of potential host materials. We proposed a machine learning method for the rapid discovery of an AB2-type sulfur host material to suppress the shuttle effect using the 2DMatPedia database, discovering 14 new structures (PdN2, TaS2, PtN2, TaSe2, AgCl2, NbSe2, TaTe2, AgF2, NiN2, AuS2, TmI2, NbTe2, NiBi2, and AuBr2) from 1320 AB2-type compounds. These structures have strong adsorptions of greater than 1.0 eV for lithium polysulfides and appreciable electron-transportation capability, which can serve as the most promising AB2-type host materials in lithium–sulfur batteries. On the basis of a small data set, we successfully predicted Li2S6 adsorption at arbitrary sites on substrate materials using transfer learning, with a considerably low mean absolute error (below 0.05 eV). The proposed data-driven method, as accurate as density functional theory calculations, significantly shortens the research cycle of screening AB2-type sulfur host materials by approximately 8 years. This method provides high-precision and expeditious solutions for other high-throughput calculations and material screenings based on adsorption energy predictions.

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Cooperative chemisorption of polysulfides via 2D hexagonal WS2-rimmed Co9S8 heterostructures for lithium–sulfur batteries

Cited by 50 publications

References 69 publications

Few-layered V₂C MXene derived 3D V₃S₄nanocrystal functionalized carbon flakes boosting polysulfide adsorption and catalytic conversion towards Li–S batteries

Few-layered V₂C MXene derived 3D V₃S₄nanocrystal functionalized carbon flakes boosting polysulfide adsorption and catalytic conversion towards Li–S batteries

Tungsten disulfide: synthesis and applications in electrochemical energy storage and conversion

Machine-Learning-Enabled Tricks of the Trade for Rapid Host Material Discovery in Li–S Battery

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Cooperative chemisorption of polysulfides via 2D hexagonal WS2-rimmed Co9S8 heterostructures for lithium–sulfur batteries

Cited by 50 publications

References 69 publications

Few-layered V2C MXene derived 3D V3S4nanocrystal functionalized carbon flakes boosting polysulfide adsorption and catalytic conversion towards Li–S batteries

Few-layered V2C MXene derived 3D V3S4nanocrystal functionalized carbon flakes boosting polysulfide adsorption and catalytic conversion towards Li–S batteries

Tungsten disulfide: synthesis and applications in electrochemical energy storage and conversion

Machine-Learning-Enabled Tricks of the Trade for Rapid Host Material Discovery in Li–S Battery

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Product

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Few-layered V₂C MXene derived 3D V₃S₄nanocrystal functionalized carbon flakes boosting polysulfide adsorption and catalytic conversion towards Li–S batteries

Few-layered V₂C MXene derived 3D V₃S₄nanocrystal functionalized carbon flakes boosting polysulfide adsorption and catalytic conversion towards Li–S batteries