Designing materials with low thermal conductivity (κ) is of demand for thermal protection, heat insulation, thermoelectricity, etc. In this paper, based on the state-of-the-art first-principles calculations, we propose a framework of a 1T-sandwich structure for designing materials with low κ. The 1T-sandwich structure is the same as the well-known transition metal dichalcogenide but with light carbon atoms in the middle plane. Using different atoms to fill the outer positions, a few novel two-dimensional materials are constructed as study cases, i.e., Mg2C, Janus MgBeC, Be2C, and Mo2C. With a systematic and comparative study, the κ are calculated to be 3.74, 8.26, 14.80, and 5.13 W/mK, respectively. The consistent values indicate the stable behavior of low κ in the 1T-sandwich structure, being insensitive to the component. Our study would help design advanced functional materials with reliable heat transfer performance for practical applications, which reduces the influence of unavoidable impurities.
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14 May 2022
Research Article|
May 10 2022
The stable behavior of low thermal conductivity in 1T-sandwich structure with different components
E Zhou
;
E Zhou
1
State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body, College of Mechanical and Vehicle Engineering, Hunan University
, Changsha 410082, People’s Republic of China
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Jing Wu
;
Jing Wu
1
State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body, College of Mechanical and Vehicle Engineering, Hunan University
, Changsha 410082, People’s Republic of China
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Chen Shen;
Chen Shen
2
Institut für Materialwissenschaft, Technische Universität Darmstadt
, Darmstadt 64289, Germany
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Hongbin Zhang;
Hongbin Zhang
2
Institut für Materialwissenschaft, Technische Universität Darmstadt
, Darmstadt 64289, Germany
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Guangzhao Qin
Guangzhao Qin
a)
1
State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body, College of Mechanical and Vehicle Engineering, Hunan University
, Changsha 410082, People’s Republic of China
a)Author to whom correspondence should be addressed: [email protected]
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a)Author to whom correspondence should be addressed: [email protected]
J. Appl. Phys. 131, 185702 (2022)
Article history
Received:
February 19 2022
Accepted:
April 21 2022
Citation
E Zhou, Jing Wu, Chen Shen, Hongbin Zhang, Guangzhao Qin; The stable behavior of low thermal conductivity in 1T-sandwich structure with different components. J. Appl. Phys. 14 May 2022; 131 (18): 185702. https://doi.org/10.1063/5.0088646
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