Global band convergence design for high-performance thermoelectric power generation in Zintls

• 成果类型: Article
• 署名作者: Shi, Xin; Song, Shaowei; Gao, Guanhui; Ren, Zhifeng
• 署名单位: University of Houston System; University of Houston; University of Houston System; University of Houston; Rice University; University of Houston System; University of Houston
• 刊物名称: SCIENCE
• ISSN/ISSBN: 0036-13461
• DOI: 10.1126/science.adn7265
• 发表日期: 2024-05-17
• 页码: 757-762
• 关键词: high-efficiency; MODULE

摘要

Electronic band convergence can have a beneficial impact on thermoelectric performance, but finding the right band-converged compositions is still time-consuming. We propose a method for designing a series of compositions with simultaneous band convergence in the high-entropy Yb x Ca1- x Mg y Zn2- y Sb2 material by zeroing the weighted sum of crystal-field splitting energies of the parent compounds. We found that so-designed compositions have both larger power factors and lower thermal conductivities and that one of these compositions exhibits a large thermoelectric figure of merit value in comparison with to other p-type Zintls. Our material shows high stability both thermally and temporally. We then assembled an all-Zintl single-stage module, nontoxic and free of tellurium, that demonstrates an exceptional heat-to-electricity conversion efficiency exceeding 10% at a temperature difference of 475 kelvin.