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能带优化和载流子调控改善SnTe的热电性能OA北大核心CSTPCD

Improvement of Thermoelectric Performance of SnTe by Energy Band Optimization and Carrier Regulation

中文摘要英文摘要

作为ⅣA族碲化物,SnTe具有与PbTe相同的晶体结构和相似的双价带结构,是一种非常有前途的热电材料,但高温软化和低温热电性能差等问题阻碍了其进一步推广应用.因此,提升SnTe的平均热电优值,拓宽服役区间,有重要的研究意义.能带工程和晶格工程可同时优化功率因子和晶格热导率,提升SnTe的热电性能.本研究采用MgSe 合金化策略,通过熔炼和放电等离子烧结(SPS)的方法制备了一系列 Sn1-yPbyTe-x%MgSe(0.01≤y≤0.05,0≤x≤6)样品.研究发现,合金化MgSe可增大能带带隙,有效抑制本征SnTe在高温段的双极扩散,使高温Seebeck系数得到提升,同时声子散射降低了体系晶格热导率,使高温热电性能(873 K)提升了100%;掺杂Pb元素可有效调制载流子浓度抑制电子热导率,从而提升 SnTe平均热电性能.其中,Sn0.96Pb0.04Te-4%MgSe样品在 873 K 的 ZT为 1.5,423~873 K的平均ZT达到 0.8,得到了比文献更优异的结果.

As group ⅣA tellurides,SnTe has the same crystal structure and similar bivalent band structure as PbTe,making it a promising thermoelectric material.However,the main concern of softening at elevated temperature and lower ZT at low temperatures has been hindering its application.Therefore,it is significant to expand the service temperature range of SnTe by improving its average ZT.It has been reported that the thermoelectric performance of SnTe is improved by regulating the power factor and lattice thermal conductivity based on band and lattice engineering.In this study,MgSe alloying strategy was used to prepare a series of Sn1-yPbyTe-x%MgSe(0.01≤y≤0.05,0≤x≤6)samples by combining melting and Spark Plasma Sintering(SPS)techniques.The results show that alloying MgSe leads to an increase in the band gap,effectively suppressing the bipolar effect of intrinsic SnTe,improving the Seebeck coefficient in the high-temperature range,and reducing lattice thermal conductivity through phonon scattering as well.As a result,ZT at 873 K is improved by 100%.The incorporation of Pb effectively modulates the carrier concentration,successfully suppressing electronic thermal conductivity,and thereby improving average thermoelectric performance of SnTe.Among them,Sn0.96Pb0.04Te-4%MgSe possesses a ZT value of 1.5 at 873 K and an average ZT value of 0.8 at 423-873 K,displaying superior performance compared to literature.

陈浩;樊文浩;安德成;陈少平

太原理工大学 材料科学与工程学院,太原 030024太原理工大学 物理学院,太原 030024太原理工大学 化学学院,太原 030024

热电材料载流子调制合金化能带工程SnTe

thermoelectric materialcarrier modulationalloyingband engineeringSnTe

《无机材料学报》 2024 (003)

306-312 / 7

国家自然科学基金(52202277);山西省自然科学基金(202203021221071);山西省科技合作与交流专项项目(202104041101007);山西省回国留学人员科研资助项目(2023-083)National Natural Science Foundation of China(52202277);Natural Science Foundation of Shanxi Province(202203021221071);Special Project of Scientific and Technological Cooperation and Exchange in Shanxi Province(202104041101007);Shanxi Scholarship Council of China(2023-083)

10.15541/jim20230316

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