Thermoelectric material is a new type of functional material for directly converting heat energy into electric energy, which has an important application prospect in the fields of new energy generation and waste heat recovery. In this paper, the thermoelectric properties of two-dimensional PtS₂ are researched under different strain based on density functional theory calculations. The ZT was obtained by calculating thermal transport properties and electric transport properties. The largest ZT value of Penta-PtS₂ for p-type and n-type are 0.29 and 0.56 respectively under strain 0%, the maximum ZT value of PtS₂ can reach to 0.7 by applying strain.

中文翻译：

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二维PtS ₂单层的输运性质和热电性质：第一性原理研究

热电材料是一种将热能直接转化为电能的新型功能材料，在新能源生产和余热回收领域具有重要的应用前景。本文基于密度泛函理论计算，研究了二维PtS ₂在不同应变下的热电性能。通过计算热传递性质和电传递性质获得ZT。在0％应变下，P型和n型Penta-PtS ₂的最大ZT值分别为0.29和0.56，通过施加应变，PtS ₂的最大ZT值可以达到0.7。