Advanced preparation and application of transition metal selenides in lithium–sulfur batteries: a review

Wang, Hao; Deng, Nanping; Wang, Shuaishuai; Wang, Xiaoxiao; Li, Yanan; Zeng, Qiang; Luo, Shengbin; Cui, Xianfeng; Cheng, Bowen; Kang, Weimin

doi:10.1039/d2ta05576g

Cited by 29 publications

(11 citation statements)

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“…© 2023 Wiley-VCH GmbH sulfophilic sites effectively adsorb LiPSs and considerably alleviate the polysulfides shuttle effect. And the lithophilic sites can low the nucleation barrier that contributes to the induction of uniform deposition of lithium-ions on the anode surface and decelerate the growth of Li dendrites, [20] 3) favorable inherent electrical conductivity. The TMSes usually have good electrical conductivity, which accelerates ion/electron transport.…”

Section: (26 Of 39)mentioning

confidence: 99%

“…Herein, we mainly introduce the research progress on TMCs as catalyst materials in LSBs. First, the structural characteristics of six common TMCs represented by transition metal oxides (TMOs), [ 15 ] transition metal sulfides (TMSs), [ 16 ] transition metal nitrides (TMNs), [ 17 ] transition metal carbides (TMCcs), [ 18 ] transition metal phosphides (TMPs), [ 19 ] and transition metal selenides (TMSes), [ 20 ] coupling with the evaluation of adsorption and diffusion behavior toward polysulfides are systematically introduced as shown in Figures and . Furthermore, through simulating the schematic illustration on the interaction principle between TMCs and LiPSs, the actual adsorption energy values are calculated via DFT guidance to further reveal the mechanism of adsorption energy interaction.…”

Section: Introductionmentioning

confidence: 99%

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Transition Metal Compounds Family for Li–S Batteries: The DFT‐Guide for Suppressing Polysulfides Shuttle

Wang

Yao

et al. 2023

Adv Funct Materials

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Lithium–sulfur batteries (LSBs) are considered as one of the best candidates for the next generation of high‐energy‐density storage devices owing to their superior theoretical energy density, high specific capacity, and sufficient sulfur reservoirs. However, the shuttle effect of soluble polysulfides and sluggish LiPSs redox kinetics restrict the further application of LSBs. The polysulfides shuttle effect can be efficiently alleviated and LiPSs conversion kinetics be accelerated by designing optimal transition metal compounds (TMCs) as multifunctional catalyst materials. Herein, recent advances about TMCs in LSBs are systematically summarized and analyzed. First of all, the intrinsic structural characteristics of TMCs and relevant application on their works to the adsorption energies studies are described in detail. Second, the bonding manners and structural properties are analyzed by density functional theory (DFT)‐guided calculations, focusing on the adsorption and diffusion behavior between TMCs and LiPSs. Furthermore, the mechanism of LiPSs redox reaction conversion is studied from kinetics aspects, thus developing the continuous dynamic analysis on “adsorption–diffusion–conversion” toward LiPSs. Eventually, this study particularly highlights the importance of modification engineering and provides a forward‐looking overview for its further application prospects by introduction of the previous advanced studies in LSBs.

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Section: (26 Of 39)mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Transition Metal Compounds Family for Li–S Batteries: The DFT‐Guide for Suppressing Polysulfides Shuttle

Wang

Yao

et al. 2023

Adv Funct Materials

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“…Compared with metal or alloys, metal-based compounds are endowed with a more polar surface to chemically confine sulfur species but also suffer from inferior conductivity to transfer electrons. Among various compounds, metal selenides possess a metallic property and polar surface for polysulfide adsorption and have been reported as efficient catalysts for SRRs. , With this regard, as shown in Figure a, we fabricate N-doped CNT-encapsulated cobalt selenide nanoparticles (CoSe@NCNT) via a calcination–selenylation method. Specifically, a Co@NCNT sample was first obtained by calcining the mixture of cobalt nitrate and urea under an inert atmosphere and then transformed into CoSe@NCNT after selenylation treatment.…”

Section: Introductionmentioning

confidence: 99%

In Situ Encapsulation of Cobalt Selenide Nanoparticles in N-Doped Carbon Nanotubes with a Full Sulfiphilic Surface as a Catalytic Interlayer for Lithium–Sulfur Batteries

Zhang,

Xu,

et al. 2024

Energy Fuels

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The shuttle effect of lithium−sulfur batteries (LSBs) caused by the dissolution and migration of lithium polysulfides (LiPSs) leads to rapid capacity decay of sulfur cathodes. Modifying the separator with a catalytic layer becomes an effective strategy to inhibit LiPS shuttling and promote the conversion kinetics of sulfur active materials. Herein, we propose a carbon nanotube (CNT)-encapsulation strategy to fabricate a composite of CoSe nanoparticles encapsulated in N-doped CNT (CoSe@NCNT). The as-prepared CoSe@NCNT is endowed with a full sulfiphilic surface to trap LiPSs by Co−S and Se−Li bonds and catalyze sulfur redox reactions (SRRs) of the discharge/charge processes. In addition, the encapsulated structure effectively inhibits the aggregation of CoSe nanoparticles and enables its persistent adsorption−catalysis ability on regulating the kinetics of SRRs. When equipped with a CoSe@NCNT catalytic interlayer, the LSB shows a high specific capacity of 768.3 mAh g −1 at 2 C and superior cycle stability with the capacity decay rate of 0.06% per cycle over 1000 cycles at 1 C. In addition, when operated with an electrolyte/sulfur ratio of 5 μL mg −1 , the modified battery with a sulfur loading of 4.0 mg cm −2 delivers a specific capacity of 746.9 mAh g −1 at 0.2 C. Our studies provide a CNT-encapsulation strategy to develop transition metal-based catalytic materials for high-performance LSBs.

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“…[15][16][17] Electrocatalysis has recently been mentioned as the most powerful strategy to solve the intractable issues above. [18][19][20] Many electrocatalysts have been used in Li-S batteries, including heteroatoms doped carbonaceous materials, [21][22][23] metal borides, [24,25] nitrides, [26,27] oxides, [28,29] phosphides, [30,31] sulfides, [32][33][34] selenides, [35,36] alloys, [37,38] single-atom catalysts, [39][40][41] and heterostructure. [42] These electrocatalysts effectively accelerate the electrocatalytic transformation of polysulfides and improve the electrochemical performance of Li-S batteries.…”

Section: Introductionmentioning

confidence: 99%

Modulating d‐Band Electronic Structures of Molybdenum Disulfide via p/n Doping to Boost Polysulfide Conversion in Lithium‐Sulfur Batteries

Zeng

Sui

Tian

et al. 2023

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Polysulfide shuttle effect and sluggish sulfur reaction kinetics severely impede the cycling stability and sulfur utilization of lithium‐sulfur (Li‐S) batteries. Modulating d‐band electronic structures of molybdenum disulfide electrocatalysts via p/n doping is promising to boost polysulfide conversion and suppress polysulfide migration in lithium‐sulfur batteries. Herein, p‐type V‐doped MoS2 (V‐MoS2) and n‐type Mn‐doped MoS2 (Mn‐MoS2) catalysts are well‐designed. Experimental results and theoretical analyses reveal that both of them significantly increase the binding energy of polysulfides on the catalysts’ surface and accelerate the sluggish conversion kinetics of sulfur species. Particularly, the p‐type V‐MoS2 catalyst exhibits a more obvious bidirectional catalytic effect. Electronic structure analysis further demonstrates that the superior anchoring and electrocatalytic activities are originated from the upward shift of the d‐band center and the optimized electronic structure induced by duplex metal coupling. As a result, the Li‐S batteries with V‐MoS2 modified separator exhibit a high initial capacity of 1607.2 mAh g−1 at 0.2 C and excellent rate and cycling performance. Moreover, even at a high sulfur loading of 6.84 mg cm−2, a favorable initial areal capacity of 8.98 mAh cm−2 is achieved at 0.1 C. This work may bring widespread attention to atomic engineering in catalyst design for high‐performance Li‐S batteries.

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Advanced preparation and application of transition metal selenides in lithium–sulfur batteries: a review

Abstract: In recent years, LSBs as a new generation of secondary batteries with high energy density enable large-scale energy storage. However, high volume expansion of sulfur cathode, serious shuttle effect of...

Cited by 29 publications

References 108 publications

Transition Metal Compounds Family for Li–S Batteries: The DFT‐Guide for Suppressing Polysulfides Shuttle

Transition Metal Compounds Family for Li–S Batteries: The DFT‐Guide for Suppressing Polysulfides Shuttle

In Situ Encapsulation of Cobalt Selenide Nanoparticles in N-Doped Carbon Nanotubes with a Full Sulfiphilic Surface as a Catalytic Interlayer for Lithium–Sulfur Batteries

Modulating d‐Band Electronic Structures of Molybdenum Disulfide via p/n Doping to Boost Polysulfide Conversion in Lithium‐Sulfur Batteries

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