Parvathi Krishna, V. Vijay, S. Ponnusamy and M. Navaneethan
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Additionally, variations in size and interatomic coupling forces between Zn and Sn atoms contribute to the amplification of point defect scattering, effectively reducing the lattice thermal conductivity. Furthermore, the diminished lattice thermal conductivity of SnS samples with Zn substitution is ascribed to the decreased phonon mean free path. The synergy of multi-scale scattering results in a low thermal conductivity of 0.88 W m<small><sup>−1</sup></small> K<small><sup>−1</sup></small> at 773 K. Further, Zn substitution slightly improved the carrier concentration from 6.88 × 10<small><sup>15</sup></small> cm<small><sup>−3</sup></small> to 2.31 × 10<small><sup>16</sup></small> cm<small><sup>−3</sup></small> resulting in enhanced electrical conductivity without the drastic decrement in the Seebeck coefficient. This in turn significantly improved the power factor to 42.6 μW m<small><sup>−1</sup></small> K<small><sup>−2</sup></small> for the Sn<small><sub>0.95</sub></small>Zn<small><sub>0.05</sub></small>S sample.</p>","PeriodicalId":70,"journal":{"name":"CrystEngComm","volume":null,"pages":null},"PeriodicalIF":2.6000,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Mass and strain field mediated low thermal conductivity for enhanced thermoelectric properties in Zn substituted SnS\",\"authors\":\"Parvathi Krishna, V. Vijay, S. Ponnusamy and M. Navaneethan\",\"doi\":\"10.1039/D4CE00627E\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Tin sulfide (SnS) is widely recognized as a promising material for thermoelectrics owing to its layered structure, anharmonicity, earth abundance, and minimal toxicity. 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引用次数: 0
摘要
硫化锡(SnS)因其层状结构、非谐波性、丰富的地球资源和极低的毒性而被广泛认为是一种有前途的热电材料。本研究的重点是通过真空熔化技术取代异价 Zn 来控制 SnS 的空穴浓度。质量波动和应变场波动等点缺陷以及晶格位错和堆叠断层的存在会导致热导率下降。当 Zn 取代 SnS 晶格时,Zn 掺杂原子和 Sn 主原子之间的质量差在点缺陷散射中起着重要作用。此外,Zn 原子和 Sn 原子间尺寸和原子间耦合力的变化也会放大点缺陷散射,从而有效降低晶格热导率。此外,Zn 取代后 SnS 样品晶格热导率的降低是由于声子平均自由路径的减少。多尺度散射的协同作用导致 773 K 时的热导率低至 0.88 W m-1 K-1。此外,锌替代还将载流子浓度从 6.88 x 1015 cm-3 小幅提高到 2.31 x 1016 cm-3,从而在不大幅降低塞贝克系数的情况下提高了导电率。这反过来又大大提高了锡 0.95Zn0.05S 样品的功率因数(42.6 W m-1 K-2)。
Mass and strain field mediated low thermal conductivity for enhanced thermoelectric properties in Zn substituted SnS
Tin sulfide (SnS) is widely recognized as a promising material for thermoelectrics owing to its layered structure, anharmonicity, earth abundance, and minimal toxicity. This study focuses on controlling the hole concentration of SnS by substituting isovalent Zn through a vacuum melting technique. The presence of point defects, such as mass fluctuations and strain field fluctuations, along with lattice dislocations and stacking faults, results in a drop in thermal conductivity. The mass difference between Zn dopant and Sn host atoms plays a significant role in point defect scattering when Zn is substituted in the SnS lattice. Additionally, variations in size and interatomic coupling forces between Zn and Sn atoms contribute to the amplification of point defect scattering, effectively reducing the lattice thermal conductivity. Furthermore, the diminished lattice thermal conductivity of SnS samples with Zn substitution is ascribed to the decreased phonon mean free path. The synergy of multi-scale scattering results in a low thermal conductivity of 0.88 W m−1 K−1 at 773 K. Further, Zn substitution slightly improved the carrier concentration from 6.88 × 1015 cm−3 to 2.31 × 1016 cm−3 resulting in enhanced electrical conductivity without the drastic decrement in the Seebeck coefficient. This in turn significantly improved the power factor to 42.6 μW m−1 K−2 for the Sn0.95Zn0.05S sample.