Please use this identifier to cite or link to this item: 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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