Improving thermal conduction across cathode/electrolyte interfaces in solid-state lithium-ion batteries by hierarchical hydrogen-bond network
Effective thermal management is an important issue to ensure safety and performance of lithium-ion batteries. Fast heat removal is highly desired but has been obstructed by the high thermal resistance across cathode/electrolyte interface. In this study, self-assembled monolayers (SAMs) are used as t...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2020-09-01
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| Series: | Materials & Design |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S0264127520304615 |
| _version_ | 1818403948517654528 |
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| author | Jinlong He Lin Zhang Ling Liu |
| author_facet | Jinlong He Lin Zhang Ling Liu |
| author_sort | Jinlong He |
| collection | DOAJ |
| description | Effective thermal management is an important issue to ensure safety and performance of lithium-ion batteries. Fast heat removal is highly desired but has been obstructed by the high thermal resistance across cathode/electrolyte interface. In this study, self-assembled monolayers (SAMs) are used as the vibrational mediator to tune interfacial thermal conductance between an electrode, lithium cobalt oxide (LCO), and a solid state electrolyte, polyethylene oxide (PEO). Embedded at the LCO/PEO interface, SAMs are specially designed to form hierarchical hydrogen-bond (H-bond) network with PEO. Molecular dynamics simulations demonstrate that all SAM-decorated interfaces show enhanced thermal conductance and dominated by H-bonds types. The incorporation of poly(acrylic acid) (PAA) SAM drastically enhances interfacial thermal conductance by approximately 211.69%, largely due to the formation of a strong H-bond, -COOH···:O, between PAA and PEO. Even with weaker H-bonds such as -OH···:O, it still outperforms the pristine interface as well as interfaces decorated with non-H-bonded SAMs, e.g. PE. Such improvement is attributed to the unique hierarchical H-bond network at the interface, which removes discontinuities in temperature field, straighten SAM chains, make materials strongly adhere, and couple the vibrational modes of materials. The study is expected to guide surface engineering for more effective thermal management in lithium-ion batteries. |
| first_indexed | 2024-12-14T08:32:22Z |
| format | Article |
| id | doaj.art-20ba06fc6a35482585f91ccd8c3c56cb |
| institution | Directory Open Access Journal |
| issn | 0264-1275 |
| language | English |
| last_indexed | 2024-12-14T08:32:22Z |
| publishDate | 2020-09-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Materials & Design |
| spelling | doaj.art-20ba06fc6a35482585f91ccd8c3c56cb2022-12-21T23:09:29ZengElsevierMaterials & Design0264-12752020-09-01194108927Improving thermal conduction across cathode/electrolyte interfaces in solid-state lithium-ion batteries by hierarchical hydrogen-bond networkJinlong He0Lin Zhang1Ling Liu2Department of Mechanical Engineering, Temple University, Philadelphia, PA 19122, United States; Department of Mechanical and Aerospace Engineering, Utah State University, Logan, UT 84322, United StatesDepartment of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh, PA 15261, United StatesDepartment of Mechanical Engineering, Temple University, Philadelphia, PA 19122, United States; Corresponding author.Effective thermal management is an important issue to ensure safety and performance of lithium-ion batteries. Fast heat removal is highly desired but has been obstructed by the high thermal resistance across cathode/electrolyte interface. In this study, self-assembled monolayers (SAMs) are used as the vibrational mediator to tune interfacial thermal conductance between an electrode, lithium cobalt oxide (LCO), and a solid state electrolyte, polyethylene oxide (PEO). Embedded at the LCO/PEO interface, SAMs are specially designed to form hierarchical hydrogen-bond (H-bond) network with PEO. Molecular dynamics simulations demonstrate that all SAM-decorated interfaces show enhanced thermal conductance and dominated by H-bonds types. The incorporation of poly(acrylic acid) (PAA) SAM drastically enhances interfacial thermal conductance by approximately 211.69%, largely due to the formation of a strong H-bond, -COOH···:O, between PAA and PEO. Even with weaker H-bonds such as -OH···:O, it still outperforms the pristine interface as well as interfaces decorated with non-H-bonded SAMs, e.g. PE. Such improvement is attributed to the unique hierarchical H-bond network at the interface, which removes discontinuities in temperature field, straighten SAM chains, make materials strongly adhere, and couple the vibrational modes of materials. The study is expected to guide surface engineering for more effective thermal management in lithium-ion batteries.http://www.sciencedirect.com/science/article/pii/S0264127520304615Solid-state lithium-ion batteriesSelf-assembled monolayersInterfacial thermal conductanceHydrogen bondingMolecular dynamics |
| spellingShingle | Jinlong He Lin Zhang Ling Liu Improving thermal conduction across cathode/electrolyte interfaces in solid-state lithium-ion batteries by hierarchical hydrogen-bond network Materials & Design Solid-state lithium-ion batteries Self-assembled monolayers Interfacial thermal conductance Hydrogen bonding Molecular dynamics |
| title | Improving thermal conduction across cathode/electrolyte interfaces in solid-state lithium-ion batteries by hierarchical hydrogen-bond network |
| title_full | Improving thermal conduction across cathode/electrolyte interfaces in solid-state lithium-ion batteries by hierarchical hydrogen-bond network |
| title_fullStr | Improving thermal conduction across cathode/electrolyte interfaces in solid-state lithium-ion batteries by hierarchical hydrogen-bond network |
| title_full_unstemmed | Improving thermal conduction across cathode/electrolyte interfaces in solid-state lithium-ion batteries by hierarchical hydrogen-bond network |
| title_short | Improving thermal conduction across cathode/electrolyte interfaces in solid-state lithium-ion batteries by hierarchical hydrogen-bond network |
| title_sort | improving thermal conduction across cathode electrolyte interfaces in solid state lithium ion batteries by hierarchical hydrogen bond network |
| topic | Solid-state lithium-ion batteries Self-assembled monolayers Interfacial thermal conductance Hydrogen bonding Molecular dynamics |
| url | http://www.sciencedirect.com/science/article/pii/S0264127520304615 |
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