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首页> 外文期刊>Advanced energy materials >The Role of Zn in Chalcopyrite CuFeS2: Enhanced Thermoelectric Properties of Cu1-xZnxFeS2 with In Situ Nanoprecipitates
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The Role of Zn in Chalcopyrite CuFeS2: Enhanced Thermoelectric Properties of Cu1-xZnxFeS2 with In Situ Nanoprecipitates

机译：锌在黄铜矿CuFeS2中的作用：具有原位纳米沉淀的Cu1-xZnxFeS2增强的热电性能

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摘要

Chalcopyrite (CuFeS2) is a widespread natural mineral, composed of earth-abundant and nontoxic elements. It has been considered a promising n-type material for thermoelectric applications. In this work, a series of Zn-doped Cu1-xZnxFeS2 (x = 0-0.1) compounds are synthesized by vacuum melting combined with the plasma activated sintering process. The role of Zn in the chalcopyrite and its different effects on thermoelectric properties, depending on its concentration and location in the crystal lattice, are discussed. It is found that Zn is an effective donor which increases the carrier concentration and improves the thermoelectric properties of CuFeS2. When the content of Zn exceeds the solubility limit, Zn partially enters the Cu sites and forms in situ ZnS nanophase. This, in turn, shifts the balance between the anion and cation species which is re-established by the formation of antisite Fe/Cu defects. Beyond maintaining charge neutrality of the structure, such antisite defects relieve the lattice strain in the matrix and increase the solubility of Zn further. The highest ZT value of 0.26 is achieved at 630 K for Cu0.92Zn0.08FeS2, which represents an enhancement of about 80% over that of the pristine CuFeS2 sample.
机译：黄铜矿（CuFeS2）是一种广泛的天然矿物质，由富含地球和无毒元素组成。它被认为是有前途的热电应用n型材料。在这项工作中，通过真空熔化结合等离子活化烧结工艺合成了一系列掺杂锌的Cu1-xZnxFeS2（x = 0-0.1）化合物。讨论了锌在黄铜矿中的作用及其对热电性能的不同影响，这取决于锌的浓度和在晶格中的位置。发现Zn是有效的给体，其增加了载流子浓度并改善了CuFeS 2的热电性能。当Zn的含量超过溶解度极限时，Zn部分进入Cu位点并原位形成ZnS纳米相。反过来，这改变了阴离子和阳离子种类之间的平衡，这种平衡通过形成反位的Fe / Cu缺陷而重新建立。除了保持结构的电荷中性外，这种反位缺陷还减轻了基体中的晶格应变并进一步增加了Zn的溶解度。对于Cu0.92Zn0.08FeS2，在630 K下获得的最高ZT值为0.26，这比原始CuFeS2样品的ZT值提高了约80％。

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  • 来源
    《Advanced energy materials》 |2017年第3期|1601299.1-1601299.14|共14页
  • 作者

    Xie Hongyao; Su Xianli; Zheng Gang; Zhu Ting; Yin Kang; Yan Yonggao; Uher Ctirad; Kanatzidis Mercouri G.; Tang Xinfeng;

  • 作者单位

    Wuhan Univ Technol, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China;

    Wuhan Univ Technol, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China;

    Wuhan Univ Technol, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China;

    Wuhan Univ Technol, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China;

    Wuhan Univ Technol, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China;

    Wuhan Univ Technol, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China;

    Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA;

    Northwestern Univ, Dept Chem, Evanston, IL 60208 USA;

    Wuhan Univ Technol, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China;

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  • 正文语种 eng
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  • 关键词

    environmentally friendly; in situ nanoprecipitates; thermal resistance; thermoelectric;

    机译：环保;原位纳米沉淀;热阻;热电;

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