Thermal Transport Properties of Sulfur-Loaded Carbon-Based Nanotubes and Composite Sulfur Cathodes in Lithium–Sulfur Batteries,ACS Applied Materials & Interfaces

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Thermal Transport Properties of Sulfur-Loaded Carbon-Based Nanotubes and Composite Sulfur Cathodes in Lithium–Sulfur Batteries
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2022-12-21 , DOI: 10.1021/acsami.2c17259
Jieren Song ₁ , Zhonghai Xu ₂ , Xianghua Xu ₁ , Xingang Liang ₁ , Xiaodong He ₂

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The thermal management of lithium–sulfur batteries with high specific energy has become one of the critical issues for their applications. Carbon-based nanotubes are widely used to construct composite sulfur cathodes. This paper focuses on the thermal transport properties of sulfur-coated and sulfur-embedded boron carbide nanotubes (BCNTs) and carbon nanotubes (CNTs) and their composites using molecular dynamics. It is found that phonon softening and localization play a role in making BCNT exhibit a lower thermal conductivity (TC) than CNT. Furthermore, it is discovered that the sulfur embedded inside the carbon-based nanotube has a greater negative impact on carbon-based nanotube phonon transport. Moreover, the effective medium theory model is not suitable for predicting the effective thermal conductivity of coated sulfur composites, in contrast to its good applicability to embedded sulfur composites. These findings provide an in-depth understanding of the thermal transport properties of composite sulfur cathodes in lithium–sulfur batteries.

中文翻译：

锂硫电池中载硫碳基纳米管和复合硫阴极的热传输特性

高比能锂硫电池的热管理已成为其应用的关键问题之一。碳基纳米管广泛用于构建复合硫阴极。本文重点研究了硫包覆和硫嵌入的碳化硼纳米管 (BCNT) 和碳纳米管 (CNT) 及其使用分子动力学的复合材料的热传输特性。发现声子软化和局部化在使 BCNT 表现出比 CNT 更低的热导率 (TC) 方面发挥作用。此外，发现嵌入碳基纳米管内部的硫对碳基纳米管的声子传输具有更大的负面影响。此外，有效介质理论模型不适用于预测包覆硫复合材料的有效导热系数，与其对嵌入式硫复合材料的良好适用性形成对比。这些发现提供了对锂硫电池中复合硫阴极的热传输特性的深入了解。

更新日期：2022-12-21

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