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Article Abstract
In the current era of limited resources, the matter of energy conversion holds significant importance. Thermoelectric materials possess the ability to transform thermal energy into electric power. Achieving an impressive thermoelectric figure of merit () necessitates the presence of a high power factor alongside low thermal conductivity. Stimulated by recent experimental reports on the in-plane lateral MoSe/WSe heterostructure in the application thermoelectric device [Zhang Y. et al., Simultaneous electrical and thermal rectification in a monolayer lateral heterojunction. Science , , 169], in this study, the method of twisting angle is used to modulate the energy bands of van der Waals MoSe/WSe superlattice heterostructures to optimize the carrier concentration, band gap, electric conductance, thermal conductivity, and of the heterostructure. The 21.79° twisted heterostructures among different twisting-angle heterostructures benefit from both the high power factor and low thermal conductivity, ultimately leading to significantly improved compared to the untwisted counterpart.
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