Zinc Stabilized Cation Ordered Chalcopyrite Thin Film for Enhanced Thermoelectric Power Generation Near Room Temperature

IF 8.7 1区化学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY ACS Materials Letters Pub Date : 2025-01-25 DOI:10.1021/acsmaterialslett.4c01898

Hong Pang, Cédric Bourgès, Naohito Tsujii, Jha Rajveer, Naoyuki Kawamoto, Fumihiko Ichihara, Takahiro Baba, Tetsuya Baba, Naoki Sato, Yuichi Yamasaki and Takao Mori*,

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Abstract

Multinary sulfides represent a significant family of semiconductors because of their low cost and promising performance, yet controlling their composition is challenging. CuFeS₂ thin films are particularly attractive because of their great potential in thermoelectricity and photovoltaics. Herein we reveal the newest finding that Zn promotes the cation ordering and stabilizes the chalcopyrite CuFeS₂ film, preventing the reverse transformation to wurtzite with a random distribution of Cu–Fe at high temperature. The thermoelectric properties of chalcopyrite thin films are investigated as a function of Zn content, resulting in an optimized power factor of 0.168 mW/m·K² at room temperature, outperforming any CuFeS₂ thin films ever reported. For the first time, synchrotron-based in situ X-ray diffraction and X-ray absorption fine structure confirm the phase transition, offering insights into the isomeric structure of CuFeS₂ and the role of Zn. The in-depth understanding of cation-ordering and phase transformation between CuFeS₂ polymorphs might impact the multinary sulfide film fabrication and improvement in efficiency of renewable energy applications.

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室温下增强热电发电的锌稳定阳离子有序黄铜矿薄膜

多硫化物因其低成本和良好的性能而代表了半导体的重要家族，但控制其成分是具有挑战性的。CuFeS2薄膜因其在热电和光伏方面的巨大潜力而特别具有吸引力。本文揭示了Zn促进CuFeS2黄铜矿膜阳离子有序和稳定的最新发现，阻止了Cu-Fe在高温下随机分布向纤锌矿的反向转变。研究了黄铜矿薄膜的热电性能与Zn含量的关系，得到了室温下功率因数为0.168 mW/m·K2的优化结果，优于已有报道的CuFeS2薄膜。基于同步加速器的原位x射线衍射和x射线吸收精细结构首次证实了相变，为CuFeS2的异构体结构和Zn的作用提供了新的见解。深入了解CuFeS2多晶之间的阳离子有序和相变可能影响多硫化膜的制备和可再生能源应用效率的提高。

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来源期刊

ACS Materials Letters MATERIALS SCIENCE, MULTIDISCIPLINARY-

CiteScore

14.60

自引率

3.50%

发文量

261

期刊介绍： ACS Materials Letters is a journal that publishes high-quality and urgent papers at the forefront of fundamental and applied research in the field of materials science. It aims to bridge the gap between materials and other disciplines such as chemistry, engineering, and biology. The journal encourages multidisciplinary and innovative research that addresses global challenges. Papers submitted to ACS Materials Letters should clearly demonstrate the need for rapid disclosure of key results. The journal is interested in various areas including the design, synthesis, characterization, and evaluation of emerging materials, understanding the relationships between structure, property, and performance, as well as developing materials for applications in energy, environment, biomedical, electronics, and catalysis. The journal has a 2-year impact factor of 11.4 and is dedicated to publishing transformative materials research with fast processing times. The editors and staff of ACS Materials Letters actively participate in major scientific conferences and engage closely with readers and authors. The journal also maintains an active presence on social media to provide authors with greater visibility.

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