Role of Sodium Doping in Lead Chalcogenide Thermoelectrics
详细信息 查看全文
- 作者：Jiaqing He ; Li-Dong Zhao ; Jin-Cheng Zheng ; Jeff W. Doak ; Haijun Wu ; Hui-Qiong Wang ; Yeseul Lee ; Chris Wolverton ; Mercouri G. Kanatzidis ; Vinayak P. Dravid
- 刊名：The Journal of the American Chemical Society
- 出版年：2013
- 出版时间：March 27, 2013
- 年：2013
- 卷：135
- 期：12
- 页码：4624-4627
- 全文大小：278K
- 年卷期：v.135,no.12(March 27, 2013)
- ISSN：1520-5126
文摘
The solubility of sodium and its effects on phonon scattering in lead chalcogenide PbQ (Q = Te, Se, S) family of thermoelectric materials was investigated by means of transmission electron microscopy and density functional calculations. Among these three systems, Na has the highest solubility limit (2 mol %) in PbS and the lowest 0.5 mol %) in PbTe. First-principles electronic structure calculations support the observations, indicating that Na defects have the lowest formation energy in PbS and the highest in PbTe. It was also found that in addition to providing charge carriers (holes) for PbQ, Na introduces point defects (solid solution formation) and nanoscale precipitates; both reduce the lattice thermal conductivity by scattering heat-carrying phonons. These results explain the recent reports of high thermoelectric performance in p-type PbQ materials and may lead to further advances in this class of materials.