Integration of PDAAQ and Non-stoichiometric MgO as Host Cathode Materials for Lithium-Sulfur Batteries with Superior Cycle Stability: Density Functional Theory Calculations and Experimental Validations

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21220%2F22%3A00361222" target="_blank" >RIV/68407700:21220/22:00361222 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1021/acs.energyfuels.2c02981" target="_blank" >https://doi.org/10.1021/acs.energyfuels.2c02981</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.energyfuels.2c02981" target="_blank" >10.1021/acs.energyfuels.2c02981</a>

Result language
angličtina
Original language name
Integration of PDAAQ and Non-stoichiometric MgO as Host Cathode Materials for Lithium-Sulfur Batteries with Superior Cycle Stability: Density Functional Theory Calculations and Experimental Validations
Original language description
A lithium-sulfur battery with a low cost, a long cycle life, safety, and high gravimetric energy density may be a viable option for overcoming the charge-storage limitations of lithium-ion batteries. This research describes how to increase the cycle life and performance of lithium-sulfur batteries by using highly conductive and lightweight cathode materials composed of poly(1,5-diaminoanthraquinone) (PDAAQ) and non-stoichiometric magnesium oxide nanoparticles (MgO). The cell with the MgO/PDAAQ/S cathode has a discharge capacity of 1239 mA h g-1 after 200 cycles. The discharge capacity is maintained at 1020 mA h g-1 after 500 cycles. When considering non-stoichiometric MgO, which is oxygen-rich, the adsorption energy of Li becomes highly negative (-4.648 eV/Li atom), making the structure active for adsorption of lithium polysulfide chains. The novel combination of a MgO/PDAAQ/S cathode has a significant potential for the fabrication of high gravimetric energy density Li-S batteries (570 W h kg-1 per cell) over 200 cycles.
Czech name
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Czech description
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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

Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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