journal article·2023-07-11

Anomalous Pressure-Resilient Thermal Conductivity in Hybrid Perovskites with Strong Lattice Anharmonicity and Small Bulk Modulus

Jin Yang, Ankit Jain, Liwu Fan, Yee Sin Ang, Hanying Li, Wee-Liat Ong

Chemistry of Materials· Volume 35· Issue 13
Publisher page

Abstract

The pressure-enhanced electronic properties of metal halide perovskites are advantageous for photovoltaic and thermoelectric applications. However, another critical performance factor, the thermal conductivity behavior under pressure, has received much less attention. Using the state-of-the-art phonon Wigner transport equation, we studied the prototypical methylammonium lead triiodide in its cubic phase (c-MAPbI 3 ) to discover a new anomalous pressure effect, where the dominant coherence-channel thermal conductivity is invariant with changing pressure. The straightening of the octahedra and the shortening of the lattice constant with increasing pressure help create this anomalous behavior that suppresses the overall thermal conductivity changes. By comparing with the bulk modulus and Grüneisen parameter of several materials, we unveil another unusual phenomenon in c-MAPbI 3 . The thermal conductivity of this soft and strongly anharmonic material under pressure behaves like those of stiff and weakly anharmonic materials. Together with the reported enhanced optoelectronic properties, our findings support MAPbI 3 as a pressure-modulated energy conversion material with decoupled thermal and electrical properties.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Perovskite Materials and Applications · Advanced Thermoelectric Materials and Devices · Thermal properties of materials

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

Affiliations

ZJU-UIUC Institute, College of Energy Engineering, Zhejiang University, Jiaxing, Haining, Zhejiang 314400, China

Mechanical Engineering Department, IIT Bombay, Mumbai 400076, India

State Key Laboratory of Clean Energy Utilization, Zhejiang University, Hangzhou, Zhejiang 310027, China

Key Laboratory of Clean Energy and Carbon Neutrality of Zhejiang Province, Zhejiang University, Hangzhou, Zhejiang 310027, China

Science, Mathematics, and Technology, Singapore University of Technology and Design, Singapore 487372, Singapore

MOE Key Laboratory of Macromolecular Synthesis and Functionalization, International Research Center for X Poly-Mers, Department of Polymer Science and Engineering, Zhejiang University, Hangzhou 310027, China

Funding

Singapore University of Technology and Design · Fundamental Research Funds for the Central Universities · National Natural Science Foundation of China · Natural Science Foundation of Zhejiang Province · Zhejiang University - University of Illinois Urbana-Champaign Institute · Zhejiang-Saudi EMC2 Laboratory

References (63)

Show source-provided references
1. 10.1038/s41586-021-04372-810.1038/s41586-021-04372-8 ↗
2. 10.1002/advs.20190338910.1002/advs.201903389 ↗
3. 10.1021/acs.nanolett.7b0269610.1021/acs.nanolett.7b02696 ↗
4. 10.1021/acs.chemmater.2c0322110.1021/acs.chemmater.2c03221 ↗
5. 10.1021/acs.chemmater.2c0212410.1021/acs.chemmater.2c02124 ↗
6. 10.1063/5.004458810.1063/5.0044588 ↗
7. 10.1002/adfm.20200624310.1002/adfm.202006243 ↗
8. 10.1021/jacs.1c0444210.1021/jacs.1c04442 ↗
9. 10.1016/j.nanoen.2021.10574710.1016/j.nanoen.2021.105747 ↗
10. 10.1039/D0NR08776A10.1039/D0NR08776A ↗
11. 10.1063/5.006520710.1063/5.0065207 ↗
12. 10.1021/acs.jpcc.5b0428310.1021/acs.jpcc.5b04283 ↗
13. 10.1038/s42254-022-00423-910.1038/s42254-022-00423-9 ↗
14. 10.1063/5.007513510.1063/5.0075135 ↗
15. 10.1103/PhysRevB.98.14430310.1103/PhysRevB.98.144303 ↗
16. 10.1039/D1NR08505K10.1039/D1NR08505K ↗
17. 10.1103/PhysRevB.103.15530510.1103/PhysRevB.103.155305 ↗
18. 10.1063/1.506460210.1063/1.5064602 ↗
19. 10.1038/s41567-019-0520-x10.1038/s41567-019-0520-x ↗
20. 10.1103/PhysRevX.12.04101110.1103/PhysRevX.12.041011 ↗
21. 10.1016/j.mtphys.2022.10089210.1016/j.mtphys.2022.100892 ↗
22. 10.1039/C8EE02820F10.1039/C8EE02820F ↗
23. 10.1021/acs.chemmater.2c0143010.1021/acs.chemmater.2c01430 ↗
24. 10.1103/PhysRevLett.104.20850110.1103/PhysRevLett.104.208501 ↗
25. 10.1103/PhysRevB.90.23520110.1103/PhysRevB.90.235201 ↗
26. 10.1038/s41467-019-08713-010.1038/s41467-019-08713-0 ↗
27. 10.1038/s41586-022-05381-x10.1038/s41586-022-05381-x ↗
28. 10.1021/acs.jpcc.8b0591910.1021/acs.jpcc.8b05919 ↗
29. 10.1107/S002188981103897010.1107/S0021889811038970 ↗
30. 10.1016/j.commatsci.2017.12.01610.1016/j.commatsci.2017.12.016 ↗
31. 10.1021/jz501210910.1021/jz5012109 ↗
32. 10.1103/PhysRevB.93.04520210.1103/PhysRevB.93.045202 ↗
33. 10.1021/nl501299210.1021/nl5012992 ↗
34. 10.1103/PhysRevB.94.11542710.1103/PhysRevB.94.115427 ↗
35. 10.1103/PhysRevLett.62.64510.1103/PhysRevLett.62.645 ↗
36. 10.1080/1364281990822305410.1080/13642819908223054 ↗
37. 10.1103/PhysRevLett.79.188510.1103/PhysRevLett.79.1885 ↗
38. 10.1103/PhysRevB.83.13230110.1103/PhysRevB.83.132301 ↗
39. 10.1038/srep0240010.1038/srep02400 ↗
40. Ashcroft N. W. · 1976
41. 10.1103/PhysRevB.92.14430810.1103/PhysRevB.92.144308 ↗
42. 10.1557/mrc.2015.6910.1557/mrc.2015.69 ↗
43. 10.1063/1.509328910.1063/1.5093289 ↗
44. 10.1103/PhysRevApplied.11.06407010.1103/PhysRevApplied.11.064070 ↗
45. 10.1016/0038-1098(92)90451-E10.1016/0038-1098(92)90451-E ↗
46. 10.1016/0169-4332(94)00390-410.1016/0169-4332(94)00390-4 ↗
47. 10.1063/1.9552310.1063/1.95523 ↗
48. 10.1103/PhysRevB.35.136210.1103/PhysRevB.35.1362 ↗
49. 10.1088/1674-0068/24/06/703-71010.1088/1674-0068/24/06/703-710 ↗
50. 10.1088/0022-3719/3/3/00410.1088/0022-3719/3/3/004 ↗
51. 10.1016/j.commatsci.2016.07.04310.1016/j.commatsci.2016.07.043 ↗
52. 10.1103/PhysRevB.96.22030310.1103/PhysRevB.96.220303 ↗
53. 10.1039/C8CP05858J10.1039/C8CP05858J ↗
54. 10.1038/s41598-017-05523-610.1038/s41598-017-05523-6 ↗
55. 10.1103/PhysRevB.86.11520310.1103/PhysRevB.86.115203 ↗
56. 10.1103/PhysRevB.103.13430110.1103/PhysRevB.103.134301 ↗
57. 10.1088/1361-6528/abbb4c10.1088/1361-6528/abbb4c ↗
58. 10.1103/PhysRevB.98.08520510.1103/PhysRevB.98.085205 ↗
59. 10.1016/j.cpc.2021.10817110.1016/j.cpc.2021.108171 ↗
60. 10.1088/1361-648X/29/4/04300110.1088/1361-648X/29/4/043001 ↗
61. 10.1063/1.513254310.1063/1.5132543 ↗
62. 10.1016/j.ijheatmasstransfer.2021.12234110.1016/j.ijheatmasstransfer.2021.122341 ↗
63. 10.1103/PhysRevB.79.06430110.1103/PhysRevB.79.064301 ↗