Anisotropically tuning interfacial thermal conductance between graphite and poly(ethylene oxide) by lithium-ion intercalation: A molecular dynamics study
Anisotropically tuning interfacial thermal conductance between graphite and poly(ethylene oxide) by lithium-ion intercalation: A molecular dynamics study
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DOI：
10.1016/j.ijheatmasstransfer.2022.123134
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发表时间：
2022
影响因子：
5.2
通讯作者：
Siyu Tian;Zhihao Xu;Shiwen Wu;T. Luo;Guoping Xiong
中科院分区：
文献类型：
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作者：
Siyu Tian;Zhihao Xu;Shiwen Wu;T. Luo;Guoping Xiong
了解锂化二维材料和聚合物之间的界面热传递可以为设计热可调和导电复合材料提供有用的指导，从而实现能源系统的有效热管理。本文通过分子动力学模拟研究了锂离子插入对石墨与聚环氧乙烷（PEO）界面热传递的影响。结果表明，锂离子嵌入对石墨与PEO界面热导率的增强具有各向异性影响。横向ITC随岩化程度的增加而单调增加，而平面内ITC仅在石墨基体完全岩化时才显著增强。各向异性效应可归因于插层引起的两种接触材料之间的强Lennard-Jones相互作用。这项工作可能为通过离子嵌入二维材料设计导热聚合物复合材料和热可控界面开辟新的机会。
Understanding interfacial thermal transport between lithiated two-dimensional materials and polymers can provide useful guidelines to design thermally tunable and conductive composites for efficient thermal management of energy systems. In this work, molecular dynamics simulations are conducted to investigate the effect of lithium (Li)-ion intercalation on the interfacial thermal transport between graphite and poly(ethylene oxide) (PEO). Results show that Li-ion intercalation anisotropically affects the enhancement of the interfacial thermal conductance (ITC) between graphite and PEO. The cross-plane ITC monotonically increases with increasing degree of lithiation, while a significant enhancement of the in-plane ITC is only observed when the graphite host is fully lithiated. The anisotropic effect can be attributed to the intercalation-induced strong Lennard-Jones interactions between the two contacting materials. This work may open up new opportunities to design thermally conductive polymeric composites and thermally controllable interfaces through ion intercalation of 2D materials.