首页|稀土元素Tm掺杂对Cu2S热电性能影响研究

稀土元素Tm掺杂对Cu2S热电性能影响研究

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Cu2S具有较低的晶格热导率和窄禁带宽度,它热电性能优异、成本低廉且无毒等优点引起了热电材料相关研究领域的广泛关注.采用水热合成法与真空烧结法相结合的方式制备 Cu2S 基热电材料,通过物相、成分表征和热电性能测试等手段,研究稀土元素Tm掺杂对Cu2S基材料热电性能的影响规律,并采用第一性原理开展掺杂后Cu2S能带结构和态密度计算.研究结果表明,水热合成法可以获得Cu31S16 粉体,在真空烧结过程中物相发生了转变,从原来的 Cu31S16 转变为 Cu2S.掺杂 Tm 元素可显著提高 Cu2S 粉体的结晶性能,随着掺杂含量的增加,Cu2S团聚现象逐渐消失.Cu2S塞贝克系数随Tm掺杂量的增加有所提升,其中掺杂 2%Tm 的 Cu2S在350℃处于相变温度,塞贝克系数达到峰值 1589.71 μV/K;随掺杂元素的增加和温度的升高,Cu2S电导率逐渐下降.Tm掺杂后的Cu2S在中高温度范围内,热导率κ随着温度的上升呈现逐渐下降的趋势.结果表明掺杂 2%Tm的Cu2S热电优值从 0.1 增加到 0.4,提高了 300%.
The influence of rare earth element Tm doping on the thermoelectric properties of Cu2S
Cu2S has low lattice thermal conductivity and narrow band gap width,and its excellent thermoelectric performance,low cost,and non-toxic properties have attracted widespread attention in the research field of thermoelectric materials.The present work adopts a combination of hydrothermal synthesis and vacuum sinte-ring to prepare Cu2S based thermoelectric materials.Through phase and composition characterization,as well as thermoelectric performance testing,the influence of rare earth element Tm doping on the thermoelectric proper-ties of Cu2S based materials has been studied.First-principles calculations are used to develop the band structure and density of states of Cu2S.The results indicate that the hydrothermal synthesis method can obtain Cu31S16 powders,and the phase transformation occurs during the vacuum sintering process,from the original Cu31S16 to Cu2S.Tm element doping can significantly improve the crystallization performance of Cu2S powders,and with the increase of doping content,the agglomeration phenomenon of Cu2S gradually disappears.The Seebeck coef-ficient of Cu2S increases with the increase of Tm doping amount,with Cu2S doped with 2%Tm at a phase tran-sition temperature of 350℃and the Seebeck coefficient reaching a peak of 1589.71 μV/K.With the increase of doping elements and temperature,the electrical conductivity of Cu2S gradually decreases.The thermal conduc-tivity of Cu2S doped with Tm in the medium to high temperature range has a gradual downward trend.The re-sults showed that the figure of merit of Cu2S doped with 2%Tm increases from 0.1 to 0.4,exhibiting an in-crease of 300%.

thermoelectric materialsCu2STmdoping

刘静、李云凯、王丽阁

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西南科技大学 材料与化学学院,四川 绵阳 621000

热电材料 Cu2S Tm 掺杂

四川省青年科学基金项目西南科技大学自然科学基金项目

2022NSFSC199920zx7106

2024

功能材料
重庆材料研究院 中国仪器仪表学会仪表材料学会

功能材料

CSTPCD北大核心
影响因子:0.918
ISSN:1001-9731
年,卷(期):2024.55(3)
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