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Enhanced thermoelectric properties of MnxCu1.8S via tuning band structure and scattering multiscale phonons
Journal of Materiomics ( IF 9.4 ) Pub Date : 2020-11-09 , DOI: 10.1016/j.jmat.2020.11.001
Zhao Zhao , Dou-Dou Liang , Jun Pei , Jian-Lei Shi , Yin Wu , Rui Zhang , Bo-Ping Zhang

Digenite (Cu1.8S) as a potential p-type thermoelectric (TE) material has attracted extensive attention due to its environmental benign, abundant resources and low cost of component elements. In this study, the TE properties of MnxCu1.8S bulk samples prepared by mechanical alloying (MA) combined with spark plasma sintering (SPS) were investigated. Doping Mn would initially substitute Cu and tune the band structure of Cu1.8S with an enlarged band gap Eg. However, if Mn content is beyond the solubility limit of x = 0.01 in Cu1.8S will cause the formation of MnS, which contributes to the formation of Cu-rich phases at 0.02 ≤ x ≤ 0.08. Benefiting from the synergetic scattering effect of point defects (MnCu, VS) and MnS, Cu1.96S, Cu1.97S, Cu2S phases, the lowest thermal conductivity κ value of 0.75 W m−1K−1 was obtained at 773 K for Mn0.08Cu1.8S. Along with the decreased κ, the highest figure of merit ZT value of 0.92 at 773 K achieved in Mn0.08Cu1.8S bulk sample. A maximum engineering ZTeng of 0.3 and its efficiency ηmax of about 6% were obtained at 323–773 K, which is almost 3 times than that of the pristine Cu1.8S (ηmax = 2.2%). Introducing Mn in Cu1.8S is an effective and convenient strategy to improve TE performance.



中文翻译:

通过调谐能带结构和散射多尺度声子增强Mn x Cu 1.8 S的热电性能

作为一种潜在的p型热电(TE)材料,Digenite(Cu 1.8 S)由于其环境友好,资源丰富和组成元件成本低而受到广泛关注。在这项研究中,研究了通过机械合金化(MA)结合火花等离子体烧结(SPS)制备的Mn x Cu 1.8 S块状样品的TE特性。掺杂Mn最初会替代Cu,并以更大的带隙E g调整Cu 1.8 S的能带结构。但是,如果Mn含量超出 Cu 1.8x的溶解度极限x = 0.01S将导致MnS的生成,其在0.02≤有助于富-铜相的形成X  ≤0.08。受益于点缺陷的协同散射效应(V小号)和的MnS,铜1.96 S,铜1.97 S,的Cu 2 S期,最低的热导率κ为0.75脉冲W M的值-1 ķ -1在773ķ获得的Mn 0.081.8 S.随着下降κ,Mn 0.08 Cu 1.8 S块状样品在773 K时的最高品质因数ZT值为0.92 。最大工程ZT主机的0.3和其效率η最高在323-773 K,这几乎是3倍于原始的Cu,获得的约6%1.8 S(η最大值 = 2.2%)。在Cu 1.8 S中引入Mn是提高TE性能的有效且方便的策略。

更新日期:2020-11-09
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