Improving thermal conduction across cathode/electrolyte interfaces in solid-state lithium-ion batteries by hierarchical hydrogen-bond network
Improving thermal conduction across cathode/electrolyte interfaces in solid-state lithium-ion batteries by hierarchical hydrogen-bond network
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DOI：
10.1016/j.matdes.2020.108927
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发表时间：
2020-09-01
影响因子：
8.4
通讯作者：
Liu, Ling
中科院分区：
文献类型：
--
作者：
He, Jinlong;Zhang, Lin;Liu, Ling
有效的热管理是保证锂离子电池安全和性能的重要问题。快速散热是非常需要的，但由于阴极/电解质界面的高热阻而受到阻碍。在这项研究中，自组装单层（SAMs）被用作振动介质来调节电极锂钴氧化物（LCO）和固态电解质聚乙烯氧化物（PEO）之间的界面热导率。SAMs嵌入在LCO/PEO界面，专门设计用于与PEO形成层次化氢键（h -键）网络。分子动力学模拟表明，所有的钐修饰界面都表现出增强的导热性，并以氢键类型为主。聚丙烯酸（PAA） samo的加入使界面导热系数提高了约211.69%，这主要是由于PAA和PEO之间形成了一个强氢键，-COOH中心点中心点中心点中心点：O。即使有较弱的氢键，如-OH中心点，中心点，中心点，中心点：O，它仍然优于原始界面以及用非氢键sam装饰的界面，如PE。这种改进归功于界面处独特的分层氢键网络，它消除了温度场的不连续，使SAM链变直，使材料强粘附，并耦合了材料的振动模式。这项研究有望指导锂离子电池的表面工程，以实现更有效的热管理。(C) 2020由Elsevier Ltd.出版。
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 SAMdecorated interfaces show enhanced thermal conductance and dominated by H-bonds types. The incorporation of poly(acrylic acid) (PAA) SAMdrastically enhances interfacial thermal conductance by approximately 211.69%, largely due to the formation of a strong H-bond, -COOH center dot center dot center dot:O, between PAA and PEO. Even withweaker H-bonds such as -OH center dot center dot center dot: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. (C) 2020 Published by Elsevier Ltd.