Enargite Cu_3PS_4: A Cu-S-Based Thermoelectric Material with a Wurtzite-Derivative Structure

Tanimoto Takuya; Suekuni Koichiro; Tanishita Taiki; Usui Hidetomo; Tadano Terumasa; Kamei Taiga; Saito Hikaru; Nishiate Hirotaka; Lee Chul Ho; Kuroki Kazuhiko; Ohtaki Michitaka

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Enargite Cu_3PS_4: A Cu-S-Based Thermoelectric Material with a Wurtzite-Derivative Structure

机译：enargite Cu_3PS_4：一种基于Cu-S基热电材料，具有诸如Wurtzite-衍生物结构

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摘要

Compound semiconductors derived from ZnS (zincblende and wurtzite) with tetrahedral framework structures have functions for various applications. Examples of such materials include Cu-S-based materials with zincblende-derivative structures, which have attracted attention as thermoelectric (TE) materials over the past decade. This study illuminates superior TE performance in polycrystalline samples of enargite Cu3P1-xGexS4 with a wurtzite-derivative structure. The substitution of Ge for P dopes holes into the top of the valence band composed of Cu-3d and S-3p, whereby its multiband characteristic leads to a high TE power factor. Furthermore, a reduction in the grain size to 50-300 nm can effectively decrease phonon mean free paths, leading to low thermal conductivity. These features result in a dimensionless TE figure of merit ZT of 0.5 at 673 K for the x = 0.2 sample. Environmentally benign and low-cost characteristics of the constituent elements of Cu3PS4, as well as its high-performance thermoelectricity, make it a promising candidate for large-scale TE applications. Furthermore, this finding extends the development field of Cu-S-based TE materials to those with wurtzite-derivative structures.

机译：具有四面体框架结构的ZnS（Zincblende和Wurtzite）的化合物半导体具有各种应用的功能。这些材料的实例包括Cu-S基材料，其具有锌尖相衍生物结构，在过去十年中，这引起了热电（TE）材料的关注。本研究利用诸如纯钛矿衍生物结构阐明了烯基Cu3P1-XgexS4的多晶样品中的优异TE性能。 Ge的替换为P掺杂孔进入由Cu-3D和S-3P组成的价带的顶部，由此其多频带特性导致高TE功率因数。此外，晶粒尺寸的降低至50-300nm可以有效地降低声子是平均自由路径，导致导热性低。这些特征导致X = 0.2样品的673 k处0.5的无量纲TE值。 CU3PS4的组成元素的环境良性和低成本特征，以及其高性能热电，使其成为大型TE应用的有希望的候选者。此外，该发现将Cu-S基TE材料的显影领域扩展到具有诸如Wurtzite-衍生结构的那些。

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来源
《Advanced Functional Materials》 |2020年第22期|2000973.1-2000973.8|共8页
作者
Tanimoto Takuya; Suekuni Koichiro; Tanishita Taiki; Usui Hidetomo; Tadano Terumasa; Kamei Taiga; Saito Hikaru; Nishiate Hirotaka; Lee Chul Ho; Kuroki Kazuhiko; Ohtaki Michitaka;
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作者单位

Kyushu Univ Interdisciplinary Grad Sch Engn Sci Dept Appl Sci Elect & Mat Kasuga Fukuoka 8168580 Japan;

Kyushu Univ Interdisciplinary Grad Sch Engn Sci Dept Appl Sci Elect & Mat Kasuga Fukuoka 8168580 Japan|Kyushu Univ Transdisciplinary Res & Educ Ctr Green Technol Kasuga Fukuoka 8168580 Japan;

Kyushu Univ Interdisciplinary Grad Sch Engn Sci Dept Appl Sci Elect & Mat Kasuga Fukuoka 8168580 Japan;

Shimane Univ Dept Phys & Mat Sci Matsue Shimane 6908504 Japan;

Natl Inst Mat Sci NIMS Res Ctr Magnet & Spintron Mat Tsukuba Ibaraki 3050047 Japan;

Kyushu Univ Interdisciplinary Grad Sch Engn Sci Dept Appl Sci Elect & Mat Kasuga Fukuoka 8168580 Japan;

Kyushu Univ Interdisciplinary Grad Sch Engn Sci Dept Appl Sci Elect & Mat Kasuga Fukuoka 8168580 Japan;

Natl Inst Adv Ind Sci & Technol Res Inst Energy Conservat Tsukuba Ibaraki 3058568 Japan;

Natl Inst Adv Ind Sci & Technol Res Inst Energy Conservat Tsukuba Ibaraki 3058568 Japan;

Osaka Univ Dept Phys Toyonaka Osaka 5600043 Japan;

Kyushu Univ Interdisciplinary Grad Sch Engn Sci Dept Appl Sci Elect & Mat Kasuga Fukuoka 8168580 Japan|Kyushu Univ Transdisciplinary Res & Educ Ctr Green Technol Kasuga Fukuoka 8168580 Japan;

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正文语种 eng
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关键词
compound semiconductor; enargite; sulfide; thermoelectrics; wurtzite;

机译：化合物半导体;烯丙基钛矿;硫化物;热电;湿度;

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Enargite Cu_3PS_4: A Cu-S-Based Thermoelectric Material with a Wurtzite-Derivative Structure

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