Modeling and Simulations of the Sulfur Infiltration in Activated Carbon Fabrics during Composite Cathode Fabrication for Lithium-Sulfur Batteries
During the manufacture of a composite cathode for lithium-sulfur (Li-S) batteries it is important to realize homogeneous infiltration of a specified amount of sulfur, targeted to be at least 5 mg cm<sup>−2</sup> to achieve good battery performance in terms of high energy density. A model...
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| Format: | Article |
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MDPI AG
2021-02-01
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| Series: | Journal of Composites Science |
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| Online Access: | https://www.mdpi.com/2504-477X/5/3/65 |
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| author | Kyriakos Lasetta Joseph Paul Baboo Constantina Lekakou |
| author_facet | Kyriakos Lasetta Joseph Paul Baboo Constantina Lekakou |
| author_sort | Kyriakos Lasetta |
| collection | DOAJ |
| description | During the manufacture of a composite cathode for lithium-sulfur (Li-S) batteries it is important to realize homogeneous infiltration of a specified amount of sulfur, targeted to be at least 5 mg cm<sup>−2</sup> to achieve good battery performance in terms of high energy density. A model of the sulfur infiltration is presented in this study, taking into account the pore size distribution of the porous cathode host, phase transitions in sulfur, and formation of different sulfur allotropes, depending on pore size, formation energy and available thermal energy. Simulations of sulfur infiltration into an activated carbon fabric at a hot-plate temperature of 175 °C for two hours predicted a composite cathode with 41 wt% sulfur (8.3 mg cm<sup>−2</sup>), in excellent agreement with the experiment. The pore size distribution of the porous carbon host proved critical for both the extent and form of retained sulfur, where pores below 0.4 nm could not accommodate any sulfur, pores between 0.4 and 0.7 nm retained S<sub>4</sub> and S<sub>6</sub> allotropes, and pores between 0.7 and 1.5 nm contained S<sub>8</sub>. |
| first_indexed | 2024-03-09T00:33:32Z |
| format | Article |
| id | doaj.art-7e550454c88049ba88b591ec614888c8 |
| institution | Directory Open Access Journal |
| issn | 2504-477X |
| language | English |
| last_indexed | 2024-03-09T00:33:32Z |
| publishDate | 2021-02-01 |
| publisher | MDPI AG |
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| series | Journal of Composites Science |
| spelling | doaj.art-7e550454c88049ba88b591ec614888c82023-12-11T18:20:46ZengMDPI AGJournal of Composites Science2504-477X2021-02-01536510.3390/jcs5030065Modeling and Simulations of the Sulfur Infiltration in Activated Carbon Fabrics during Composite Cathode Fabrication for Lithium-Sulfur BatteriesKyriakos Lasetta0Joseph Paul Baboo1Constantina Lekakou2Department of Mechanical Engineering Sciences, University of Surrey, Guildford, Surrey GU2 7XH, UKDepartment of Mechanical Engineering Sciences, University of Surrey, Guildford, Surrey GU2 7XH, UKDepartment of Mechanical Engineering Sciences, University of Surrey, Guildford, Surrey GU2 7XH, UKDuring the manufacture of a composite cathode for lithium-sulfur (Li-S) batteries it is important to realize homogeneous infiltration of a specified amount of sulfur, targeted to be at least 5 mg cm<sup>−2</sup> to achieve good battery performance in terms of high energy density. A model of the sulfur infiltration is presented in this study, taking into account the pore size distribution of the porous cathode host, phase transitions in sulfur, and formation of different sulfur allotropes, depending on pore size, formation energy and available thermal energy. Simulations of sulfur infiltration into an activated carbon fabric at a hot-plate temperature of 175 °C for two hours predicted a composite cathode with 41 wt% sulfur (8.3 mg cm<sup>−2</sup>), in excellent agreement with the experiment. The pore size distribution of the porous carbon host proved critical for both the extent and form of retained sulfur, where pores below 0.4 nm could not accommodate any sulfur, pores between 0.4 and 0.7 nm retained S<sub>4</sub> and S<sub>6</sub> allotropes, and pores between 0.7 and 1.5 nm contained S<sub>8</sub>.https://www.mdpi.com/2504-477X/5/3/65composite cathodesulfur infiltrationporous carbon hostmodelingcomputer simulationssulfur allotropes |
| spellingShingle | Kyriakos Lasetta Joseph Paul Baboo Constantina Lekakou Modeling and Simulations of the Sulfur Infiltration in Activated Carbon Fabrics during Composite Cathode Fabrication for Lithium-Sulfur Batteries Journal of Composites Science composite cathode sulfur infiltration porous carbon host modeling computer simulations sulfur allotropes |
| title | Modeling and Simulations of the Sulfur Infiltration in Activated Carbon Fabrics during Composite Cathode Fabrication for Lithium-Sulfur Batteries |
| title_full | Modeling and Simulations of the Sulfur Infiltration in Activated Carbon Fabrics during Composite Cathode Fabrication for Lithium-Sulfur Batteries |
| title_fullStr | Modeling and Simulations of the Sulfur Infiltration in Activated Carbon Fabrics during Composite Cathode Fabrication for Lithium-Sulfur Batteries |
| title_full_unstemmed | Modeling and Simulations of the Sulfur Infiltration in Activated Carbon Fabrics during Composite Cathode Fabrication for Lithium-Sulfur Batteries |
| title_short | Modeling and Simulations of the Sulfur Infiltration in Activated Carbon Fabrics during Composite Cathode Fabrication for Lithium-Sulfur Batteries |
| title_sort | modeling and simulations of the sulfur infiltration in activated carbon fabrics during composite cathode fabrication for lithium sulfur batteries |
| topic | composite cathode sulfur infiltration porous carbon host modeling computer simulations sulfur allotropes |
| url | https://www.mdpi.com/2504-477X/5/3/65 |
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