Controlling Gas Generation of Li-Ion Battery through Divinyl Sulfone Electrolyte Additive
The focus of mainstream lithium-ion battery (LIB) research is on increasing the battery’s capacity and performance; however, more effort should be invested in LIB safety for widespread use. One aspect of major concern for LIB cells is the gas generation phenomenon. Following conventional battery eng...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-06-01
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| Series: | International Journal of Molecular Sciences |
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| Online Access: | https://www.mdpi.com/1422-0067/23/13/7328 |
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| author | Woon Ih Choi Insun Park Jae Sik An Dong Young Kim Meiten Koh Inkook Jang Dae Sin Kim Yoon-Sok Kang Youngseon Shim |
| author_facet | Woon Ih Choi Insun Park Jae Sik An Dong Young Kim Meiten Koh Inkook Jang Dae Sin Kim Yoon-Sok Kang Youngseon Shim |
| author_sort | Woon Ih Choi |
| collection | DOAJ |
| description | The focus of mainstream lithium-ion battery (LIB) research is on increasing the battery’s capacity and performance; however, more effort should be invested in LIB safety for widespread use. One aspect of major concern for LIB cells is the gas generation phenomenon. Following conventional battery engineering practices with electrolyte additives, we examined the potential usage of electrolyte additives to address this specific issue and found a feasible candidate in divinyl sulfone (DVSF). We manufactured four identical battery cells and employed an electrolyte mixture with four different DVSF concentrations (0%, 0.5%, 1.0%, and 2.0%). By measuring the generated gas volume from each battery cell, we demonstrated the potential of DVSF additives as an effective approach for reducing the gas generation in LIB cells. We found that a DVSF concentration of only 1% was necessary to reduce the gas generation by approximately 50% while simultaneously experiencing a negligible impact on the cycle life. To better understand this effect on a molecular level, we examined possible electrochemical reactions through ab initio molecular dynamics (AIMD) based on the density functional theory (DFT). From the electrolyte mixture’s exposure to either an electrochemically reductive or an oxidative environment, we determined the reaction pathways for the generation of CO<sub>2</sub> gas and the mechanism by which DVSF additives effectively blocked the gas’s generation. The key reaction was merging DVSF with cyclic carbonates, such as FEC. Therefore, we concluded that DVSF additives could offer a relatively simplistic and effective approach for controlling the gas generation in lithium-ion batteries. |
| first_indexed | 2024-03-09T21:47:44Z |
| format | Article |
| id | doaj.art-2996cb7412f44047aeef275dabcef6bd |
| institution | Directory Open Access Journal |
| issn | 1661-6596 1422-0067 |
| language | English |
| last_indexed | 2024-03-09T21:47:44Z |
| publishDate | 2022-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | International Journal of Molecular Sciences |
| spelling | doaj.art-2996cb7412f44047aeef275dabcef6bd2023-11-23T20:11:57ZengMDPI AGInternational Journal of Molecular Sciences1661-65961422-00672022-06-012313732810.3390/ijms23137328Controlling Gas Generation of Li-Ion Battery through Divinyl Sulfone Electrolyte AdditiveWoon Ih Choi0Insun Park1Jae Sik An2Dong Young Kim3Meiten Koh4Inkook Jang5Dae Sin Kim6Yoon-Sok Kang7Youngseon Shim8Innovation Center, Samsung Electronics, 1 Samsungjeonja-ro, Hwasung 18448, KoreaSamsung Advanced Institute of Technology (SAIT), Samsung Electronics, 130 Samsung-ro, Suwon 16678, KoreaInnovation Center, Samsung Electronics, 1 Samsungjeonja-ro, Hwasung 18448, KoreaSamsung Advanced Institute of Technology (SAIT), Samsung Electronics, 130 Samsung-ro, Suwon 16678, KoreaSamsung Advanced Institute of Technology (SAIT), Samsung Electronics, 130 Samsung-ro, Suwon 16678, KoreaInnovation Center, Samsung Electronics, 1 Samsungjeonja-ro, Hwasung 18448, KoreaInnovation Center, Samsung Electronics, 1 Samsungjeonja-ro, Hwasung 18448, KoreaSamsung Advanced Institute of Technology (SAIT), Samsung Electronics, 130 Samsung-ro, Suwon 16678, KoreaInnovation Center, Samsung Electronics, 1 Samsungjeonja-ro, Hwasung 18448, KoreaThe focus of mainstream lithium-ion battery (LIB) research is on increasing the battery’s capacity and performance; however, more effort should be invested in LIB safety for widespread use. One aspect of major concern for LIB cells is the gas generation phenomenon. Following conventional battery engineering practices with electrolyte additives, we examined the potential usage of electrolyte additives to address this specific issue and found a feasible candidate in divinyl sulfone (DVSF). We manufactured four identical battery cells and employed an electrolyte mixture with four different DVSF concentrations (0%, 0.5%, 1.0%, and 2.0%). By measuring the generated gas volume from each battery cell, we demonstrated the potential of DVSF additives as an effective approach for reducing the gas generation in LIB cells. We found that a DVSF concentration of only 1% was necessary to reduce the gas generation by approximately 50% while simultaneously experiencing a negligible impact on the cycle life. To better understand this effect on a molecular level, we examined possible electrochemical reactions through ab initio molecular dynamics (AIMD) based on the density functional theory (DFT). From the electrolyte mixture’s exposure to either an electrochemically reductive or an oxidative environment, we determined the reaction pathways for the generation of CO<sub>2</sub> gas and the mechanism by which DVSF additives effectively blocked the gas’s generation. The key reaction was merging DVSF with cyclic carbonates, such as FEC. Therefore, we concluded that DVSF additives could offer a relatively simplistic and effective approach for controlling the gas generation in lithium-ion batteries.https://www.mdpi.com/1422-0067/23/13/7328lithium-ion batteryliquid electrolyteadditiveelectrochemical reactiongas generationdensity functional theory |
| spellingShingle | Woon Ih Choi Insun Park Jae Sik An Dong Young Kim Meiten Koh Inkook Jang Dae Sin Kim Yoon-Sok Kang Youngseon Shim Controlling Gas Generation of Li-Ion Battery through Divinyl Sulfone Electrolyte Additive International Journal of Molecular Sciences lithium-ion battery liquid electrolyte additive electrochemical reaction gas generation density functional theory |
| title | Controlling Gas Generation of Li-Ion Battery through Divinyl Sulfone Electrolyte Additive |
| title_full | Controlling Gas Generation of Li-Ion Battery through Divinyl Sulfone Electrolyte Additive |
| title_fullStr | Controlling Gas Generation of Li-Ion Battery through Divinyl Sulfone Electrolyte Additive |
| title_full_unstemmed | Controlling Gas Generation of Li-Ion Battery through Divinyl Sulfone Electrolyte Additive |
| title_short | Controlling Gas Generation of Li-Ion Battery through Divinyl Sulfone Electrolyte Additive |
| title_sort | controlling gas generation of li ion battery through divinyl sulfone electrolyte additive |
| topic | lithium-ion battery liquid electrolyte additive electrochemical reaction gas generation density functional theory |
| url | https://www.mdpi.com/1422-0067/23/13/7328 |
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