Experimental and DFT calculations for C/ZnO@S cathode and prelithiation Si anode for advanced sulfur-based batteries
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21220%2F25%3A00383587" target="_blank" >RIV/68407700:21220/25:00383587 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1007/s11581-025-06416-9" target="_blank" >https://doi.org/10.1007/s11581-025-06416-9</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s11581-025-06416-9" target="_blank" >10.1007/s11581-025-06416-9</a>
Alternative languages
Result language
angličtina
Original language name
Experimental and DFT calculations for C/ZnO@S cathode and prelithiation Si anode for advanced sulfur-based batteries
Original language description
The advancement of modified electrodes for the next generation of sulfur-based batteries has become a prominent focus of research. This study introduces a detailed DFT calculations for the cell with carbon-doped ZnO/S as a potential cathode material through urea-assisted thermal decomposition of zinc acetate. Ultralong cycling stability is achieved after 500 cycles at 2 C for C-doped ZnO, resulting in an impressive reversibility of 981 mAh g-1, with a capacity retention of 86.2% and minimal capacity degradation of just 0.023% per cycle. The carbon-doped ZnO/LiS2 model has a higher electrical conductivity compared to the Li2S/ZnO model. The DFT result proved the strong interaction of silicon with both carbon and oxygen; subsequently, the interaction in ZnO models containing SiS₂ was much higher, especially in the model containing carbon, which is in good agreement with our experiments.
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
7
Country of publishing house
DE - GERMANY
Number of pages
10
Pages from-to
6819-6828
UT code for WoS article
001494861800001
EID of the result in the Scopus database
2-s2.0-105006469657