单层双面材料SnSSe的热输运特性及热电特性研究

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中图分类号：TB34；0469 文献标志码：A 文章编号：1671-6841（2025）06-0083-08

DOI：10.13705/j. issn.1671-6841.2024037

Abstract：Based on density functional theory（DFT）and the phonon Boltzmann transport theory，an indepth study was conducted on the thermal transport properties and thermoelectric characteristics of monolayer SnSSe. The findings indicated that at 300K ，the thermal conductivity of monolayer SnSSe was 23.6W/（Ωm⋅K） ，which decreased with increasing temperature. Monolayer SnSSe was identified as an indirect bandgap semiconductor with an electronic bandgap of 1.59eV At 700K ，the optimal ZT value for p-type doped monolayer SnSSe reached 1.66. It was also found that altering strain could affect the bandgap of monolayer SnSSe，thereby regulating its thermoelectric performance.The study could provide theoretical reference for the design of thermoelectric devices based on monolayer SnSSe materials.

Key Words：nanomaterials； SnSSe； density functional theory; the first principle； thermoelectric property

0 引言

二维层状材料石墨烯具有优异的电子、机械和化学特性[1]，促进了人们对二维材料的深入研究。（剩余11753字）