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https://hdl.handle.net/10356/148335
Title: | Strong valence band convergence to enhance thermoelectric performance in PbSe with two chemically independent controls | Authors: | Luo, Zhong-Zhen Cai, Songting Hao, Shiqiang Bailey, Trevor P. Spanopoulos, Ioannis Luo, Yubo Xu, Jianwei Uher, Ctirad Wolverton, Christopher Dravid, Vinayak P. Yan, Qingyu Kanatzidis, Mercouri G. |
Keywords: | Engineering::Materials | Issue Date: | 2021 | Source: | Luo, Z., Cai, S., Hao, S., Bailey, T. P., Spanopoulos, I., Luo, Y., Xu, J., Uher, C., Wolverton, C., Dravid, V. P., Yan, Q. & Kanatzidis, M. G. (2021). Strong valence band convergence to enhance thermoelectric performance in PbSe with two chemically independent controls. Angewandte Chemie International Edition, 60(1), 268-273. https://dx.doi.org/10.1002/anie.202011765 | Project: | MOE2018-T2-1-010, Singapore A*STAR Pharos Program SERC 1527200021 and 1527200022, Singapore A*STAR project A19D9a0096, | Journal: | Angewandte Chemie International Edition | Abstract: | We present an effective approach to favorably modify the electronic structure of PbSe using Ag doping coupled with SrSe or BaSe alloying. The Ag 4d states make a contribution to in the top of the heavy hole valence band and raise its energy. The Sr and Ba atoms diminish the contribution of Pb 6s2 states and decrease the energy of the light hole valence band. This electronic structure modification increases the density-of-states effective mass, and strongly enhances the thermoelectric performance. Moreover, the Ag-rich nanoscale precipitates, discordant Ag atoms, and Pb/Sr, Pb/Ba point defects in the PbSe matrix work together to reduce the lattice thermal conductivity, resulting a record high average ZTavg of around 0.86 over 400–923 K. | URI: | https://hdl.handle.net/10356/148335 | ISSN: | 1433-7851 | DOI: | 10.1002/anie.202011765 | Schools: | School of Materials Science and Engineering | Rights: | This is the peer reviewed version of the following article: Luo, Z., Cai, S., Hao, S., Bailey, T. P., Spanopoulos, I., Luo, Y., Xu, J., Uher, C., Wolverton, C., Dravid, V. P., Yan, Q. & Kanatzidis, M. G. (2021). Strong valence band convergence to enhance thermoelectric performance in PbSe with two chemically independent controls. Angewandte Chemie International Edition, 60(1), 268-273. https://dx.doi.org/10.1002/anie.202011765, which has been published in final form at https://doi.org/10.1002/anie.202011765. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions. | Fulltext Permission: | open | Fulltext Availability: | With Fulltext |
Appears in Collections: | MSE Journal Articles |
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Inducing Strong Valence Band Convergence to Enhance Thermoelectric Performance in PbSe with Two Chemically Independent Knobs.pdf | 2.26 MB | Adobe PDF | View/Open |
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