Zhang Qi, Chen Yu, Zhang Yifan, Sun Jingyong, Hu Mingjun, Yan Xin, Yuan Kaijun, Yang Xueming, Li Jiebo
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of the Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023, P.R.China.
University of Chinese Academy of Sciences, Beijing 100049, China.
J Phys Chem Lett. 2020 Nov 19;11(22):9521-9527. doi: 10.1021/acs.jpclett.0c02886. Epub 2020 Oct 28.
The thermal management of MXene (TiCT) plays a crucial role in its performance during various emerging applications. However, it is unclear how the inevitable oxidation structure of TiCT influences the thermal dissipation, which might hinder its long-term performance and even create thermal damage. Here we show the thermal migration of a TiCT flake with surface oxidation in film and water by combining ultrafast pump-probe technique with molecular dynamics (MD) simulations. The results demonstrate that the oxidation at the surface could facilitate interfacial thermal migration with shorter interfacial distances but would block the lateral thermal transfer. Besides, our results also identified that the slight oxidation could not obviously change the thermal decay of TiCT nanosheets in water due to similar hydrogen bonds between water and interface. The research not only provides fundamental understanding of the thermal dissipation of MXene but also benefits for designing the thermal dissipation system to the MXene device.
MXene（TiCT）的热管理在其各种新兴应用中的性能方面起着至关重要的作用。然而，尚不清楚TiCT不可避免的氧化结构如何影响热耗散，这可能会阻碍其长期性能，甚至造成热损伤。在此，我们通过将超快泵浦-探测技术与分子动力学（MD）模拟相结合，展示了具有表面氧化的TiCT薄片在薄膜和水中的热迁移。结果表明，表面氧化可通过缩短界面距离促进界面热迁移，但会阻碍横向热传递。此外，我们的结果还表明，由于水与界面之间存在相似的氢键，轻微氧化不会明显改变TiCT纳米片在水中的热衰减。该研究不仅为理解MXene的热耗散提供了基础认识，也有助于设计MXene器件的热耗散系统。
