dc.citation.conferencePlace |
KO |
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dc.citation.conferencePlace |
Online |
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dc.citation.title |
한국화학공학회 2020년도 가을총회 및 국제 학술대회 |
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dc.contributor.author |
Lee, Kyung Min |
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dc.contributor.author |
Shin, Eunhye |
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dc.contributor.author |
Kim, Hong-I |
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dc.contributor.author |
Lee, Sang-Young |
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dc.contributor.author |
Kwak, Sang Kyu |
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dc.date.accessioned |
2024-01-31T22:37:58Z |
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dc.date.available |
2024-01-31T22:37:58Z |
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dc.date.created |
2020-11-01 |
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dc.date.issued |
2020-10-15 |
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dc.description.abstract |
Conventional liquid electrolytes commonly used in rechargeable batteries have narrow-temperature operating range and safety issues. To overcome this weakness, aqueous eutectic electrolyte (AEE), which is high-concentrated (i.e., 5.2 m) LiTFSI aqueous electrolyte, is proposed. In this study, via molecular dynamics simulation and density functional theory calculation, we have investigated good operability of AEE in wide-temperature range and its high performance at low temperature. First, to investigate the cause of wide-temperature operation of AEE, configurations of AEE were compared with dilute aqueous LiTFSI (i.e., 1 m) at the temperature range from 233K to 373K. It was observed that AEE had higher average number of water-TFSI- hydrogen bond (HB) and lower number of water-water HB, indicating that icing effect of water molecules was inhibited in AEE. Secondly, high performance at low temperature was elucidated by estimating solvation free energy of Li+ and the interaction energy between LiTFSI and water. It was found that Li+ desolvation was thermodynamically more favorable in AEE. Thus, in AEE Li transfer at interface is facilitated and high performance is achieved. |
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dc.identifier.bibliographicCitation |
한국화학공학회 2020년도 가을총회 및 국제 학술대회 |
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dc.identifier.uri |
https://scholarworks.unist.ac.kr/handle/201301/78126 |
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dc.identifier.url |
https://www.cheric.org/research/tech/proceedings/view.php?seq=187934&page=2&proceedingssearch=%EA%B3%BD%EC%83%81%EA%B7%9C |
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dc.publisher |
한국화학공학회 |
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dc.title |
Theoretical Study of Aqueous Eutectic Lithium-Ion Electrolyte for Wide-Temperature Operation |
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dc.type |
Conference Paper |
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dc.date.conferenceDate |
2020-10-14 |
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