Thermoelectric properties of S-substituted BiCuSeO at O sites:First-principles study
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摘要:
The conversion efficiency of a thermoelectric (TE) device is dependent on the dimensionless figure of merit defined as ZT=S2σT/κ, where T is absolute temperature.This shows that higher TE materials must have a high Seebeck coefficient S,high electrical conductivity σ, and low thermal conductivity κ.Over the past few years, different types of TE materials [1], including Bi2Te3 [2], Zintl phase compounds [3], Cu2TMSnSe4 [4] (TM=Mn, Fe, Co), Mg2Si [5], BaCuSe2 [6] and SnSe [7] have been reported to have high ZT values.However, current TE materials face the challenges of either low conversion efficiencies or low chemical and thermal stabilities in the air at high temperatures.