journal article·2024-11-12

Relating Local Structure to Thermoelectric Properties in Pb1–xGexBi2Te4

Jinfeng Dong, Yukun Liu, Jue Liu, Lei Hu, Yilin Jiang, Xian Yi Tan, Yuansheng Shi, Dongwang Yang, Kivanc Saglik, Ady Suwardi, Qian Li, Jing-Feng Li, Vinayak P. Dravid, Qingyu Yan, Mercouri G. Kanatzidis

Chemistry of Materials· Volume 36· Issue 21
Publisher page

Abstract

Layered compounds have garnered widespread interest owing to their nontrivial physical properties, particularly their potential as thermoelectric materials. We systematically investigated PbBi 2 Te 4, a compound derived from Bi 2 Te 3 and PbTe. Synchrotron X-ray diffraction and transmission electron microscopy revealed that PbBi 2 Te 4 adopts and maintains the R 3̅ m phase from 300 to 723 K, without any phase transition. Moreover, neutron pair distribution function analysis confirmed that the short-range local structure was consistent with the high-symmetry R 3̅ m structure. PbBi 2 Te 4 exhibits a negative Seebeck coefficient, indicating electron-dominated transport. It has a low lattice thermal conductivity (ca. 0.6 Wm –1 K –1 ) and a ZT value of 0.4 at 573 K. The effects of GeBi 2 Te 4 alloying in PbBi 2 Te 4 (Pb 1– x Ge x Bi 2 Te 4, where x ranges from 0.0 to 0.6) were also investigated. Due to alloying-induced point defect scattering and the off-centering effects of Ge 2+, the room-temperature lattice thermal conductivity decreased to 0.55 Wm –1 K –1 when x = 0.5. Combined with a maintained weighted mobility (ca. 60 cm 2 V –1 s –2 ), the room-temperature ZT increased to 0.28. This value could further increase to 0.65 with a reduction in lattice thermal conductivity to its lower-limit value. A high ZT of 1.0 is also predicted for pristine PbBi 2 Te 4 at 473 K, demonstrating its potential as a near-room-temperature thermoelectric system.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Advanced Thermoelectric Materials and Devices · Thermal properties of materials · Topological Materials and Phenomena

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798, Singapore

Department of Chemistry, Northwestern University, Evanston, Illinois 60208, United States

Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States

Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049, China

State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084, China

Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research (A*STAR), 2 Fusionopolis Way, Innovis #08-03, Singapore 138634, Republic of Singapore

Department of Electronic Engineering, The Chinese University of Hong Kong, New Territories, Hong Kong SAR 999077, China

Funding

International Institute for Nanotechnology, Northwestern University · National Key Research and Development Program of China · Basic Energy Sciences · Ministry of Education - Singapore · W. M. Keck Foundation · Japan Society for the Promotion of Science · State of Illinois · Materials Research Science and Engineering Center, Northwestern University · National Natural Science Foundation of China · Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource

References (69)

Show source-provided references
1. 10.1038/nmat209010.1038/nmat2090 ↗
2. 10.1038/s41563-021-01109-w10.1038/s41563-021-01109-w ↗
3. 10.1038/s41563-020-00852-w10.1038/s41563-020-00852-w ↗
4. 10.1016/j.mattod.2023.04.02110.1016/j.mattod.2023.04.021 ↗
5. 10.1021/acs.chemrev.6b0025510.1021/acs.chemrev.6b00255 ↗
6. 10.1126/science.aak999710.1126/science.aak9997 ↗
7. 10.1021/acs.chemrev.0c0002610.1021/acs.chemrev.0c00026 ↗
8. 10.1016/j.jmat.2020.11.00710.1016/j.jmat.2020.11.007 ↗
9. 10.1126/science.abe129210.1126/science.abe1292 ↗
10. 10.1016/j.joule.2018.02.01610.1016/j.joule.2018.02.016 ↗
11. 10.1038/s41467-024-50175-610.1038/s41467-024-50175-6 ↗
12. 10.1007/s12598-022-02036-810.1007/s12598-022-02036-8 ↗
13. 10.1021/acsnano.1c0103910.1021/acsnano.1c01039 ↗
14. 10.1126/science.aaa416610.1126/science.aaa4166 ↗
15. 10.1002/advs.20240087010.1002/advs.202400870 ↗
16. 10.1021/acsaem.9b0213310.1021/acsaem.9b02133 ↗
17. 10.1016/j.nanoen.2021.10670610.1016/j.nanoen.2021.106706 ↗
18. 10.1039/D1EE02986J10.1039/D1EE02986J ↗
19. 10.1021/jacs.3c0965510.1021/jacs.3c09655 ↗
20. 10.3390/ma1101009910.3390/ma11010099 ↗
21. 10.1126/science.adk958910.1126/science.adk9589 ↗
22. 10.1021/jacs.4c0168810.1021/jacs.4c01688 ↗
23. 10.1126/science.aaq147910.1126/science.aaq1479 ↗
24. 10.1126/science.abi866810.1126/science.abi8668 ↗
25. 10.1038/nature1318410.1038/nature13184 ↗
26. 10.34133/2019/925313210.34133/2019/9253132 ↗
27. 10.1016/j.jallcom.2017.09.13710.1016/j.jallcom.2017.09.137 ↗
28. 10.1038/natrevmats.2016.3210.1038/natrevmats.2016.32 ↗
29. 10.1126/science.aah469810.1126/science.aah4698 ↗
30. 10.1021/jacs.3c0643310.1021/jacs.3c06433 ↗
31. 10.1038/s41560-023-01289-610.1038/s41560-023-01289-6 ↗
32. 10.1126/science.aax512310.1126/science.aax5123 ↗
33. 10.1002/adma.20180201610.1002/adma.201802016 ↗
34. 10.1126/science.aaz942610.1126/science.aaz9426 ↗
35. 10.1126/science.ade964510.1126/science.ade9645 ↗
36. 10.1002/adma.20190078410.1002/adma.201900784 ↗
37. 10.1088/1674-1056/ac2b9210.1088/1674-1056/ac2b92 ↗
38. 10.1021/acsnano.3c0462610.1021/acsnano.3c04626 ↗
39. 10.1002/adfm.20221128110.1002/adfm.202211281 ↗
40. 10.1063/1.508386310.1063/1.5083863 ↗
41. 10.1021/acs.chemmater.0c0212910.1021/acs.chemmater.0c02129 ↗
42. 10.1002/adfm.20231449910.1002/adfm.202314499 ↗
43. 10.1103/PhysRevLett.108.20680310.1103/PhysRevLett.108.206803 ↗
44. 10.1103/PhysRevB.108.05452510.1103/PhysRevB.108.054525 ↗
45. 10.1103/PhysRevB.81.24511910.1103/PhysRevB.81.245119 ↗
46. 10.1016/j.jssc.2023.12429110.1016/j.jssc.2023.124291 ↗
47. 10.1126/science.119275910.1126/science.1192759 ↗
48. 10.1088/0953-8984/19/33/33521910.1088/0953-8984/19/33/335219 ↗
49. 10.1063/1.490824410.1063/1.4908244 ↗
50. 10.34133/2022/978234310.34133/2022/9782343 ↗
51. 10.1002/adma.20180707110.1002/adma.201807071 ↗
52. 10.1016/j.nanoen.2022.10780910.1016/j.nanoen.2022.107809 ↗
53. 10.1021/jacs.2c1287710.1021/jacs.2c12877 ↗
54. 10.1007/s11664-999-0211-y10.1007/s11664-999-0211-y ↗
55. 10.1016/j.joule.2019.02.00810.1016/j.joule.2019.02.008 ↗
56. 10.1039/c1jm11754h10.1039/c1jm11754h ↗
57. 10.1002/adma.20220225510.1002/adma.202202255 ↗
58. 10.1107/S056773947600155110.1107/S0567739476001551 ↗
59. 10.1103/PhysRevB.35.406710.1103/PhysRevB.35.4067 ↗
60. 10.1103/PhysRev.120.114910.1103/PhysRev.120.1149 ↗
61. 10.1103/PhysRev.119.50710.1103/PhysRev.119.507 ↗
62. 10.1002/adfm.20120157610.1002/adfm.201201576 ↗
63. 10.1039/C9EE00317G10.1039/C9EE00317G ↗
64. 10.1103/PhysRevLett.101.03590110.1103/PhysRevLett.101.035901 ↗
65. 10.1063/1.178302210.1063/1.1783022 ↗
66. 10.1103/PhysRevB.74.14410910.1103/PhysRevB.74.144109 ↗
67. 10.1039/C5CP05510E10.1039/C5CP05510E ↗
68. 10.1002/adma.20200153710.1002/adma.202001537 ↗
69. 10.1021/acs.inorgchem.3c0277710.1021/acs.inorgchem.3c02777 ↗