Unveiling the catalytic potential of two-dimensional boron nitride in lithium–sulfur batteries

Khossossi, Nabil; Singh, Deobrat; Essaoudi, Ismail; Ahuja, Rajeev; Ainane, Abdelmajid

doi:10.1016/j.cej.2023.147518

Cited by 10 publications

(1 citation statement)

References 69 publications

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“…Additionally, this elusive Li 2 S 4 -to-Li 2 S 2 transition is typical in the SRR of LSBs and it is confirmed by various independent experimental studies (see the review 5 ). For the sake of comparison, this value is among the lowest with other 2D cathode hosts in LSBs, such as 0.513 eV of boron nitride 69 and nitrogen-doped graphene 0.72 eV. 70 Overall, it is conclusive that MoS 2 /C12A7:e – as the cathode host can enhance the electrical transport of the cathode, suppress the shuttle effect, and offer efficient electrochemical kinetics.…”

Section: Resultsmentioning

confidence: 94%

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: 94%

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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Exploration of experimentally feasible α-AsP as promising sulfur host material with superior electrochemic features for lithium-sulfur battery

Yang,

Zhou

2025

Applied Surface Science

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Dry carbothermal reaction-enabled ultra-dense nanoparticle coatings for high-performance Li-S batteries

Oh,

Nam,

Jang Chung

et al. 2024

Chemical Engineering Journal

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Unveiling the catalytic potential of two-dimensional boron nitride in lithium–sulfur batteries

Cited by 10 publications

References 69 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

Exploration of experimentally feasible α-AsP as promising sulfur host material with superior electrochemic features for lithium-sulfur battery

Dry carbothermal reaction-enabled ultra-dense nanoparticle coatings for high-performance Li-S batteries

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Unveiling the catalytic potential of two-dimensional boron nitride in lithium–sulfur batteries

Cited by 10 publications

References 69 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

Exploration of experimentally feasible α-AsP as promising sulfur host material with superior electrochemic features for lithium-sulfur battery

Dry carbothermal reaction-enabled ultra-dense nanoparticle coatings for high-performance Li-S batteries

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Product

Resources

About

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