Recently, the team of Kaijun Yuan, a researcher at the State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, and Beijing University of Aeronautics and Astronautics professors Li Jiebo and Yan Xin have made new progress in the study of heat transfer at the oxidation interface of MXene (Ti3C2Tx). Thermal management has an important impact on the long-term performance of the device. The emerging two-dimensional transition metal oxide MXene is considered to have important application prospects in the fields of energy storage, electromagnetic shielding, photoelectric detection, and photothermal therapy. However, due to the movement of electrons on the electrodes during the application process, a large amount of heat is generated inside the MXene sheet and local temperature rises, causing local thermal damage to various types of devices. Therefore, understanding the effect of oxidation reaction on interface heat conduction can avoid or reduce possible thermal damage from the design of MXene devices.
Through femtosecond ultrafast spectroscopy and molecular dynamics simulations, the research team found that Ti3C2Tx-TiO2 interface is formed after Ti3C2Tx is partially oxidized. This interface structure significantly accelerates the heat transfer rate between the interfaces, but reduces the in-plane thermal diffusion rate. Molecular dynamics simulation clarified the relationship between the oxidation probability of Ti3C2Tx interface and the thermal conductivity, and explained the influence of the chemical bond structure on the thermal conductivity from the molecular level. This research provides research and development ideas for device design based on oxide interface thermal management and thermal regulation.

Related research results were published in The Journal of Physical Chemistry Letters. The research work has been awarded by the National Natural Science Foundation of China Dynamic Chemistry Frontier Research Center Project, the Chinese Academy of Sciences Strategic Pilot Project (Category B) The Nature and Regulation of Energy Chemical Conversion, the National Natural Science Foundation of China Outstanding Youth Science Fund Project, and the National Natural Science Foundation of China Youth Science Fund projects, the Beijing University of Aeronautics and Astronautics Supercomputing Center, the basic scientific research business of central universities, etc.

Dalian Institute of Chemical Technology uses ultrafast time-resolved spectroscopy to reveal the heat transfer mechanism under the oxidation structure of MXene

Source: Dalian Institute of Chemical Physics, Chinese Academy of Sciences

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