{"title":"通过掺杂 Ge 增强基于 Mg3Sb2 的 p 型 Zintl 相化合物的热电性能","authors":"","doi":"10.1016/j.jssc.2024.124977","DOIUrl":null,"url":null,"abstract":"<div><p>Mg<sub>3</sub>Sb<sub>2</sub>-based thermoelectric materials are considered promising due to their non-toxic and cost-effective characteristics. Despite the low intrinsic thermal conductivity of these materials, their thermoelectric performance is significantly limited by a low carrier concentration. First principle calculations on p-type Mg<sub>3</sub>Sb<sub>2</sub>-based materials suggest that doping Ge at the Sb sites can notably enhance carrier concentration. Consequently, through vacuum melting combined with spark plasma sintering (SPS), samples of p-type Mg<sub>3</sub>Sb<sub>2-x</sub>Ge<sub>x</sub> (0≤x ≤ 0.05) were prepared. All Ge-doped samples display an increased carrier concentration, leading to a significant increase in the electrical conductivity and power factor (<em>PF</em>). Interestingly, the effect of Ge doping on thermal conductivity is minimal, making the Mg<sub>3</sub>Sb<sub>1.97</sub>Ge<sub>0.03</sub> sample reaches the maximum thermoelectric figure of merit of 0.39 at 723 K, a fivefold increase compared to the undoped sample. This substantiates the efficacy of Ge as an efficient p-type dopant.</p></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":null,"pages":null},"PeriodicalIF":3.2000,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Enhanced thermoelectric performance of a p-type Mg3Sb2-based Zintl phase compound via Ge doping\",\"authors\":\"\",\"doi\":\"10.1016/j.jssc.2024.124977\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Mg<sub>3</sub>Sb<sub>2</sub>-based thermoelectric materials are considered promising due to their non-toxic and cost-effective characteristics. Despite the low intrinsic thermal conductivity of these materials, their thermoelectric performance is significantly limited by a low carrier concentration. First principle calculations on p-type Mg<sub>3</sub>Sb<sub>2</sub>-based materials suggest that doping Ge at the Sb sites can notably enhance carrier concentration. Consequently, through vacuum melting combined with spark plasma sintering (SPS), samples of p-type Mg<sub>3</sub>Sb<sub>2-x</sub>Ge<sub>x</sub> (0≤x ≤ 0.05) were prepared. All Ge-doped samples display an increased carrier concentration, leading to a significant increase in the electrical conductivity and power factor (<em>PF</em>). Interestingly, the effect of Ge doping on thermal conductivity is minimal, making the Mg<sub>3</sub>Sb<sub>1.97</sub>Ge<sub>0.03</sub> sample reaches the maximum thermoelectric figure of merit of 0.39 at 723 K, a fivefold increase compared to the undoped sample. This substantiates the efficacy of Ge as an efficient p-type dopant.</p></div>\",\"PeriodicalId\":378,\"journal\":{\"name\":\"Journal of Solid State Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.2000,\"publicationDate\":\"2024-08-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Solid State Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0022459624004316\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Solid State Chemistry","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022459624004316","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0
摘要
基于 Mg3Sb2 的热电材料因其无毒和成本效益高的特点而被认为很有前景。尽管这些材料的固有热导率较低,但其热电性能却因载流子浓度较低而受到很大限制。对基于 Mg3Sb2 的 p 型材料进行的第一原理计算表明,在 Sb 位点掺杂 Ge 可以显著提高载流子浓度。因此,通过真空熔炼结合火花等离子烧结(SPS),制备出了 p 型 Mg3Sb2-xGex 样品(0≤x ≤ 0.05)。所有掺杂 Ge 的样品都显示出载流子浓度的增加,从而显著提高了导电率和功率因数(PF)。有趣的是,掺杂 Ge 对热导率的影响微乎其微,使得 Mg3Sb1.97Ge0.03 样品在 723 K 时达到 0.39 的最大热电功勋值,比未掺杂样品提高了五倍。这证明了 Ge 作为高效 p 型掺杂剂的功效。
Enhanced thermoelectric performance of a p-type Mg3Sb2-based Zintl phase compound via Ge doping
Mg3Sb2-based thermoelectric materials are considered promising due to their non-toxic and cost-effective characteristics. Despite the low intrinsic thermal conductivity of these materials, their thermoelectric performance is significantly limited by a low carrier concentration. First principle calculations on p-type Mg3Sb2-based materials suggest that doping Ge at the Sb sites can notably enhance carrier concentration. Consequently, through vacuum melting combined with spark plasma sintering (SPS), samples of p-type Mg3Sb2-xGex (0≤x ≤ 0.05) were prepared. All Ge-doped samples display an increased carrier concentration, leading to a significant increase in the electrical conductivity and power factor (PF). Interestingly, the effect of Ge doping on thermal conductivity is minimal, making the Mg3Sb1.97Ge0.03 sample reaches the maximum thermoelectric figure of merit of 0.39 at 723 K, a fivefold increase compared to the undoped sample. This substantiates the efficacy of Ge as an efficient p-type dopant.
期刊介绍:
Covering major developments in the field of solid state chemistry and related areas such as ceramics and amorphous materials, the Journal of Solid State Chemistry features studies of chemical, structural, thermodynamic, electronic, magnetic, and optical properties and processes in solids.