Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/159231
Title: High thermoelectric performance through crystal symmetry enhancement in triply doped diamondoid compound Cu₂SnSe₃
Authors: Hu, Lei
Luo, Yubo
Fang, Yue-Wen
Qin, Feiyu
Cao, Xun
Xie, Hongyao
Liu, Jiawei
Dong, Jinfeng
Sanson, Andrea
Giarola, Marco
Tan, Xian Yi
Zheng, Yun
Suwardi, Ady
Huang, Yizhong
Hippalgaonkar, Kedar
He, Jiaqing
Zhang, Wenqing
Xu, Jianwei
Yan, Qingyu
Kanatzidis, Mercouri G.
Keywords: Engineering::Materials
Issue Date: 2021
Source: Hu, L., Luo, Y., Fang, Y., Qin, F., Cao, X., Xie, H., Liu, J., Dong, J., Sanson, A., Giarola, M., Tan, X. Y., Zheng, Y., Suwardi, A., Huang, Y., Hippalgaonkar, K., He, J., Zhang, W., Xu, J., Yan, Q. & Kanatzidis, M. G. (2021). High thermoelectric performance through crystal symmetry enhancement in triply doped diamondoid compound Cu₂SnSe₃. Advanced Energy Materials, 11(42), 2100661-. https://dx.doi.org/10.1002/aenm.202100661
Project: MOE2018-T2-1-010
SERC 1527200022
A19D9a0096
Journal: Advanced Energy Materials
Abstract: The presence of high crystallographic symmetry and nanoscale defects are favorable for thermoelectrics. With proper electronic structures, a highly symmetric crystal tends to possess multiple carrier channels and promote electrical conductivity without sacrificing Seebeck coefficient. In addition, nanoscale defects can effectively scatter acoustic phonons to suppress thermal conductivity. Here, it is reported that the triple doping of Cu2SnSe3 leads to a high ZT value of 1.6 at 823 K for Cu1.85Ag0.15(Sn0.88Ga0.1Na0.02)Se3, and a decent average ZT (ZTave) value of 0.7 is also achieved for Cu1.85Ag0.15(Sn0.93Mg0.06Na0.01)Se3 from 475 to 823 K. This study reveals: 1) Ag doping on Cu sites generates numerous point defects and greatly decreases lattice thermal conductivity. 2) Doping Mg or Ga converts the monoclinic Cu2SnSe3 into a cubic structure. This symmetry enhancing leads to an increase in the effective mass from 0.8 me to 2.6 me (me, free electron mass) and the power factor from 4.3 µW cm−1 K−2 for Cu2SnSe3 to 11.6 µW cm−1 K−2. 3) Na doping creates dense dislocation arrays and nanoprecipitates, which strengthens the phonon scattering. 4) Pair distribution function analysis shows localized symmetry breakdown in the cubic Cu1.85Ag0.15(Sn0.88Ga0.1Na0.02)Se3. This work provides a standpoint to design promising thermoelectric materials by synergistically manipulating crystal symmetry and nanoscale defects.
URI: https://hdl.handle.net/10356/159231
ISSN: 1614-6832
DOI: 10.1002/aenm.202100661
Rights: This is the peer reviewed version of the following article: Hu, L., Luo, Y., Fang, Y., Qin, F., Cao, X., Xie, H., Liu, J., Dong, J., Sanson, A., Giarola, M., Tan, X. Y., Zheng, Y., Suwardi, A., Huang, Y., Hippalgaonkar, K., He, J., Zhang, W., Xu, J., Yan, Q. & Kanatzidis, M. G. (2021). High thermoelectric performance through crystal symmetry enhancement in triply doped diamondoid compound Cu₂SnSe₃. Advanced Energy Materials, 11(42), 2100661-, which has been published in final form at https://doi.org/10.1002/aenm.202100661. 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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