Simulation, DFT calculation, and experimental investigation of graphene nanoplates@MoS2@CoS2 for electrochemically stable Li-S batteries
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21220%2F25%3A00385500" target="_blank" >RIV/68407700:21220/25:00385500 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1007/s11581-025-06717-z" target="_blank" >https://doi.org/10.1007/s11581-025-06717-z</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s11581-025-06717-z" target="_blank" >10.1007/s11581-025-06717-z</a>
Alternative languages
Result language
angličtina
Original language name
Simulation, DFT calculation, and experimental investigation of graphene nanoplates@MoS2@CoS2 for electrochemically stable Li-S batteries
Original language description
The practical implementation of Li-S batteries is significantly impeded by pronounced shuttle effects and suboptimal active material utilization rates. However, the development of modified interlayers presents a viable solution to these challenges. In this study, a hydrothermal approach was employed to synthesize two-dimensional hydrophilic GNPs@MoS2@CoS2. The resulting GNPs@MoS2@CoS2 features a unique hierarchical architecture that not only improves ion mobility but also enhances cell conductivity and facilitates the trapping of polysulfides. Furthermore, the reduction and oxidation peaks observed in cells utilizing the hydrophilic GNPs@MoS2@CoS2 were more pronounced compared to those with solely hydrophilic GNPs or MoS2@CoS2, indicating superior redox kinetics. The elevated absorption energy associated with GNPs@MoS2@CoS2 ensures an improved lithiation process relative to other configurations. Density functional theory (DFT) calculations reveal that the enhanced mobility of Li ions and the effective adsorption of lithium polysulfide chains within GNPs@MoS2@CoS2 position it as a promising candidate for the development of high-performance Li-S batteries. The conductive CoS2 and stable MoS2 are combined to create an interconnected MoS2@CoS2 composite, featuring an electroactive interface that is developed on a Mo substrate. This composite serves as a high-performance electrode material, exhibiting both electrochemical and mechanical stability. The band gap and density of states of MoS2@CoS2, as determined by density functional theory simulations, suggest an enhancement in electrical conductivity.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
20301 - Mechanical engineering
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Ionics
ISSN
0947-7047
e-ISSN
1862-0760
Volume of the periodical
31
Issue of the periodical within the volume
12
Country of publishing house
DE - GERMANY
Number of pages
14
Pages from-to
12681-12694
UT code for WoS article
001585024800001
EID of the result in the Scopus database
2-s2.0-105017769150