Vacancy-induced dislocations within grains for high-performance PbSe thermoelectrics

Chen, Zhiwei; Ge, Binghui; Li, Wen; Lin, Siqi; Shen, Jiawen; Chang, Yunjie; Hanus, Riley; Snyder, G. Jeffrey; Pei, Yanzhong

doi:10.1038/ncomms13828

Vacancy-induced dislocations within grains for high-performance PbSe thermoelectrics

Journal Article · Wed Jan 04 00:00:00 EST 2017 · Nature Communications

DOI:https://doi.org/10.1038/ncomms13828· OSTI ID:1345970

Chen, Zhiwei ^[1]; Ge, Binghui ^[2]; Li, Wen ^[3]; Lin, Siqi ^[3]; Shen, Jiawen ^[3]; Chang, Yunjie ^[2]; Hanus, Riley ^[4]; Snyder, G. Jeffrey ^[4]; Pei, Yanzhong ^[3]

Tongji Univ., Shanghai (China); Northwestern University
Chinese Academy of Science, Beijing (China)
Tongji Univ., Shanghai (China)
Northwestern Univ., Evanston, IL (United States)

To minimize the lattice thermal conductivity in thermoelectrics, strategies typically focus on the scattering of low-frequency phonons by interfaces and high-frequency phonons by point defects. In addition, scattering of mid-frequency phonons by dense dislocations, localized at the grain boundaries, has been shown to reduce the lattice thermal conductivity and improve the thermoelectric performance. Here we propose a vacancy engineering strategy to create dense dislocations in the grains. In Pb_1$$-$$xSb_2x/3Se solid solutions, cation vacancies are intentionally introduced, where after thermal annealing the vacancies can annihilate through a number of mechanisms creating the desired dislocations homogeneously distributed within the grains. This leads to a lattice thermal conductivity as low as 0.4Wm^-1 K^-1 and a high thermoelectric figure of merit, which can be explained by a dislocation scattering model. As a result, the vacancy engineering strategy used here should be equally applicable for solid solution thermoelectrics and provides a strategy for improving zT.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC0001299

OSTI ID:: 1345970

Journal Information:: Nature Communications, Journal Name: Nature Communications Vol. 8; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Short-range order in defective half-Heusler thermoelectric crystals Xia, Kaiyang; Nan, Pengfei; Tan, Shihua Energy & Environmental Science, Vol. 12, Issue 5 https://doi.org/10.1039/c8ee03654c	journal	January 2019
Linking thermoelectric generation in polycrystalline semiconductors to grain boundary effects sets a platform for novel Seebeck effect-based sensors Hossein-Babaei, Faramarz; Masoumi, Saeed; Noori, Amirreza Journal of Materials Chemistry A, Vol. 6, Issue 22 https://doi.org/10.1039/c8ta02732c	journal	January 2018
High thermoelectric performance of single phase p-type cerium-filled skutterudites by dislocation engineering Meng, Xianfu; Liu, Yuan; Cui, Bo Journal of Materials Chemistry A, Vol. 6, Issue 41 https://doi.org/10.1039/c8ta07445c	journal	January 2018
Enhanced thermoelectric performance of higher manganese silicides by shock-induced high-density dislocations Gao, Zhipeng; Xiong, Zhengwei; Li, Jun Journal of Materials Chemistry A, Vol. 7, Issue 7 https://doi.org/10.1039/c8ta11292d	journal	January 2019
Optimized orientation and enhanced thermoelectric performance in Sn _0.97 Na _0.03 Se with Te addition Zhang, Jiahua; Xu, Jingtao; Tan, Xiaojian Journal of Materials Chemistry C, Vol. 7, Issue 9 https://doi.org/10.1039/c8tc06545d	journal	January 2019
Realization of higher thermoelectric performance by dynamic doping of copper in n-type PbTe You, Li; Zhang, Jiye; Pan, Shanshan Energy & Environmental Science, Vol. 12, Issue 10 https://doi.org/10.1039/c9ee01137d	journal	January 2019
High-efficiency half-Heusler thermoelectric modules enabled by self-propagating synthesis and topologic structure optimization Xing, Yunfei; Liu, Ruiheng; Liao, Jinchen Energy & Environmental Science, Vol. 12, Issue 11 https://doi.org/10.1039/c9ee02228g	journal	January 2019
Realizing high-efficiency power generation in low-cost PbS-based thermoelectric materials Jiang, Binbin; Liu, Xixi; Wang, Qi Energy & Environmental Science, Vol. 13, Issue 2 https://doi.org/10.1039/c9ee03410b	journal	January 2020
Core–shell nanostructures introduce multiple potential barriers to enhance energy filtering for the improvement of the thermoelectric properties of SnTe Ma, Zheng; Wang, Chao; Lei, Jingdan Nanoscale, Vol. 12, Issue 3 https://doi.org/10.1039/c9nr09331a	journal	January 2020
Synergistically optimized thermoelectric properties of Ag _1+x In ₅ Se ₈ alloys Shen, Xingchen; Zhang, Bin; Chen, Qiuyi Inorganic Chemistry Frontiers, Vol. 6, Issue 12 https://doi.org/10.1039/c9qi01054h	journal	January 2019
Alloying for orbital alignment enables thermoelectric enhancement of EuCd ₂ Sb ₂ Zheng, Liangtao; Li, Wen; Wang, Xiao Journal of Materials Chemistry A, Vol. 7, Issue 20 https://doi.org/10.1039/c9ta03502h	journal	January 2019
High-performance electron-doped GeMnTe ₂ : hierarchical structure and low thermal conductivity Dong, Jinfeng; Pei, Jun; Zhuang, Hua-Lu Journal of Materials Chemistry A, Vol. 7, Issue 48 https://doi.org/10.1039/c9ta09972g	journal	January 2019
Thermoelectric properties of Cu ₄ Ge ₃ Se ₅ with an intrinsic disordered zinc blende structure Shan, Bing; Lin, Siqi; Bu, Zhonglin Journal of Materials Chemistry A, Vol. 8, Issue 6 https://doi.org/10.1039/c9ta14068a	journal	January 2020
New insights into the role of dislocation engineering in N-type filled skutterudite CoSb ₃ Liu, Zihang; Meng, Xianfu; Qin, Dandan Journal of Materials Chemistry C, Vol. 7, Issue 43 https://doi.org/10.1039/c9tc03839f	journal	January 2019
Naturally decorated dislocations capable of enhancing multiple-phonon scattering in Si-based thermoelectric composites Xie, Jun; Ohishi, Yuji; Ichikawa, Satoshi Journal of Applied Physics, Vol. 123, Issue 11 https://doi.org/10.1063/1.5019614	journal	March 2018
Atomistic insights toward strengthening of GeTe phase change material by impurity doping and grain boundary engineering Liu, Ruirui; Zhou, Xiao; Zhai, Jiwei Journal of Applied Physics, Vol. 124, Issue 16 https://doi.org/10.1063/1.5037123	journal	October 2018
Molecular dynamics simulations of the effect of dislocations on the thermal conductivity of iron Sun, Yandong; Zhou, Yanguang; Han, Jian Journal of Applied Physics, Vol. 127, Issue 4 https://doi.org/10.1063/1.5127037	journal	January 2020
Manipulation of ionized impurity scattering for achieving high thermoelectric performance in n-type Mg ₃ Sb ₂ -based materials Mao, Jun; Shuai, Jing; Song, Shaowei Proceedings of the National Academy of Sciences, Vol. 114, Issue 40 https://doi.org/10.1073/pnas.1711725114	journal	September 2017
Advances in thermoelectrics Mao, Jun; Liu, Zihang; Zhou, Jiawei Advances in Physics, Vol. 67, Issue 2 https://doi.org/10.1080/00018732.2018.1551715	journal	April 2018
Effect of electrophilic substitution and destructive quantum interference on the thermoelectric performance in molecular devices Cao, Xuan-Hao; Wu, Dan; Feng, Ye-Xin Journal of Physics: Condensed Matter, Vol. 31, Issue 34 https://doi.org/10.1088/1361-648x/ab2299	journal	June 2019
Microscopic study of thermoelectric In-doped SnTe Nan, Pengfei; Liu, Ruibin; Chang, Yunjie Nanotechnology, Vol. 29, Issue 26 https://doi.org/10.1088/1361-6528/aabb0f	journal	April 2018
Fundamental and progress of Bi ₂ Te ₃ -based thermoelectric materials Hong, Min; Chen, Zhi-Gang; Zou, Jin Chinese Physics B, Vol. 27, Issue 4 https://doi.org/10.1088/1674-1056/27/4/048403	journal	April 2018
Rationalizing phonon dispersion for lattice thermal conductivity of solids Chen, Zhiwei; Zhang, Xinyue; Lin, Siqi National Science Review, Vol. 5, Issue 6 https://doi.org/10.1093/nsr/nwy097	journal	September 2018
Nano-microstructural control of phonon engineering for thermoelectric energy harvesting Liu, Zihang; Mao, Jun; Liu, Te-Huan MRS Bulletin, Vol. 43, Issue 3 https://doi.org/10.1557/mrs.2018.7	journal	March 2018
Liquid‐Phase Hot Deformation to Enhance Thermoelectric Performance of n‐type Bismuth‐Telluride‐Based Solid Solutions Wu, Yehao; Yu, Yuan; Zhang, Qi RWTH Aachen University https://doi.org/10.18154/rwth-2019-09405	text	January 2019

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