Thermoelectric CoGeTe with an Orthorhombic Crystal Symmetry and Balance of the Electrical and Thermal Properties
文献类型：期刊论文
| 作者 | Yang, Dingfeng1; Gui, Qinghong1; Yao, Wei3; Wang, Guoyu2 ; Zhou, Xiaoyuan3
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| 刊名 | INORGANIC CHEMISTRY
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| 出版日期 | 2021-08-16 |
| 卷号 | 60期号:16页码:12331-12338 |
| ISSN号 | 0020-1669 |
| DOI | 10.1021/acs.inorgchem.1c01538 |
| 通讯作者 | Yang, Dingfeng(yangxunscience@cqut.edu.cn) ; Zhou, Xiaoyuan(xiaoyuan2013@cqu.edu.cn) |
| 英文摘要 | Applying crystal symmetry to discover and optimize the performance of thermoelectric (TE) materials has attracted much attention. Here, we report CoGeTe with a middle-class crystalline system as a novel n-type TE material. Density functional theory indicates that orthorhombic CoGeTe shows multiband dispersion near the bottom of the conduction band, which is mainly occupied by the Co 3d states. Through Ni doping, these multiple bands can be activated, leading to a maximum power factor of 1.14 mW/m K-2 @786 K for Co0.95Ni0.05GeTe. In addition, phonon-dispersion calculations reveal that CoGeTe possesses relatively strong harmonic properties, including sound velocity and Debye temperature. Furthermore, the local distorted CoGe3Te3 octahedron in the matrix is beneficial for anharmonic phonon scattering. In particular, the Gruneisen parameter of Te in the crystal structure is clearly larger than those of Co and Ge. The observed thermal conductivity of Co0.93Ni0.05GeTe is between 6.50 and 5.38 W/m K in the temperature range 300-860 K. Owing to the combination of the enhanced power factor and reduced thermal conductivity, the maximum zT value reaches 0.18 at 860 K. This study suggests that TE materials with orthorhombic structures provide an ideal platform to balance the power factor and thermal conductivity in search of high-performance thermoelectrics. |
| 资助项目 | Basic and Frontier Research Project of Chongqing Science and Technology Commission[cstc2019jcyj-msxmX0187] ; Project of Scientific and Technological Research Program of Chongqing Municipal Education Commission[KJQN201801135] ; Scientific Research Foundation of Chongqing University of Technology[0115180633] |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| 出版者 | AMER CHEMICAL SOC |
| WOS记录号 | WOS:000687044700067 |
| 源URL | [http://119.78.100.138/handle/2HOD01W0/14248]  |
| 专题 | 中国科学院重庆绿色智能技术研究院 |
| 通讯作者 | Yang, Dingfeng; Zhou, Xiaoyuan |
| 作者单位 | 1.Chongqing Univ Technol, Coll Chem & Chem Engn, Chongqing 400054, Peoples R China 2.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing 400714, Peoples R China 3.Chongqing Univ, Coll Phys, Chongqing 401331, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yang, Dingfeng,Gui, Qinghong,Yao, Wei,et al. Thermoelectric CoGeTe with an Orthorhombic Crystal Symmetry and Balance of the Electrical and Thermal Properties[J]. INORGANIC CHEMISTRY,2021,60(16):12331-12338. |
| APA | Yang, Dingfeng,Gui, Qinghong,Yao, Wei,Wang, Guoyu,&Zhou, Xiaoyuan.(2021).Thermoelectric CoGeTe with an Orthorhombic Crystal Symmetry and Balance of the Electrical and Thermal Properties.INORGANIC CHEMISTRY,60(16),12331-12338. |
| MLA | Yang, Dingfeng,et al."Thermoelectric CoGeTe with an Orthorhombic Crystal Symmetry and Balance of the Electrical and Thermal Properties".INORGANIC CHEMISTRY 60.16(2021):12331-12338. |
入库方式： OAI收割
来源：重庆绿色智能技术研究院
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