Interfacial synergy of pre-lithiation silicon anodes and GNP/MnO2/S cathodes for lithium polysulfides in silicon–sulfur batteries studied via DFT
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21220%2F25%3A00381795" target="_blank" >RIV/68407700:21220/25:00381795 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1039/D5SE00125K" target="_blank" >https://doi.org/10.1039/D5SE00125K</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/D5SE00125K" target="_blank" >10.1039/D5SE00125K</a>
Alternative languages
Result language
angličtina
Original language name
Interfacial synergy of pre-lithiation silicon anodes and GNP/MnO2/S cathodes for lithium polysulfides in silicon–sulfur batteries studied via DFT
Original language description
The development of innovative electrodes with outstanding high-rate cycling performance for the next generation of sulfur-based batteries has emerged as a key area of research. This study presents a straightforward approach for designing silicon/graphene nanoplates as an anode material using a one-step hydrothermal process. Additionally, to reduce the shuttle effect, the GNP/MnO2/S cathode is investigated. In this study, MnO2 particles are grown in situ on the surface of the GNP. The pre-lithiation Si/GNP anode and the MnO2/GNP/S and GNP/S cathodes are evaluated at a current density of 1000 mA g-1. The findings reveal an impressive capacity retention of 1048 mA h g-1 after 200 cycles, indicating remarkable cycling performance for the cell with the pre-lithiation Si/GNP anode and the MnO2/GNP/S cathode. The capacity retention observed in thicker electrodes highlights the synergistic effect of the effective chemical absorption of lithium polysulfides by MnO2/GNP/S when used as sulfur hosts. Additionally, DFT calculations suggest that MnO2 has a significant tendency to adhere to the surface of polysulfides, aligning well with our findings regarding cycle performance, rate performance, and discharge capacity. The novel electrode configuration introduced in this study provides a novel pathway for the large-scale production of high-performance pre-lithiation Si–S batteries.
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
Sustainable Energy & Fuels
ISSN
2398-4902
e-ISSN
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Volume of the periodical
9
Issue of the periodical within the volume
8
Country of publishing house
GB - UNITED KINGDOM
Number of pages
12
Pages from-to
2137-2148
UT code for WoS article
001438784900001
EID of the result in the Scopus database
2-s2.0-105002987161