DataVXAdvanced Optical MaterialsPaper
journal article·2024-03Open access

Remarkable Thermochromism in the Double Perovskite Cs2NaFeCl6

Fuxiang Ji, Johan Klarbring, Bin Zhang, Feng Wang, Linqin Wang, Xiaohe Miao, Weihua Ning, Muyi Zhang, Xinyi Cai, Babak Bakhit, Martin Magnuson, Xiaoming Ren, Licheng Sun, Mats Fahlman, Irina A. Buyanova, Weimin M. Chen, Sergei I. Simak, Igor A. Abrikosov, Feng Gao

Advanced Optical Materials· Volume 12· Issue 8
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Abstract

Abstract Lead‐free halide double perovskites (HDPs) have emerged as a new generation of thermochromic materials. However, further materials development and mechanistic understanding are required. Here, a highly stable HDP Cs2NaFeCl6 single crystal is synthesized, and its remarkable and fully reversible thermochromism with a wide color variation from light‐yellow to black over a temperature range of 10 to 423 K is investigated. First‐principles, density functional theory (DFT)‐based calculations indicate that the thermochromism in Cs2NaFeCl6 is an effect of electron–phonon coupling. The temperature sensitivity of the bandgap in Cs2NaFeCl6 is up to 2.52 meVK−1 based on the Varshni equation, which is significantly higher than that of lead halide perovskites and many conventional group‐IV, III–V semiconductors. Meanwhile, this material shows excellent environmental, thermal, and thermochromic cycle stability. This work provides valuable insights into HDPs' thermochromism and sheds new light on developing efficient thermochromic materials.
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Research context

Electronic materials

OpenAlex topics: Perovskite Materials and Applications · Transition Metal Oxide Nanomaterials · Quantum Dots Synthesis And Properties

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

Affiliations

Department of Physics, Chemistry and Biology (IFM) Linköping University Linköping SE‐581 83 Sweden

Center of Artificial Photosynthesis for Solar Fuels, School of Science Westlake University Hangzhou 310024 P.R. China

Instrumentation and Service Center for Physical Sciences Westlake University Hangzhou 310024 P.R. China

Jiangsu Key Laboratory of Advanced Negative Carbon Technologies, Institute of Functional Nano and Soft Materials (FUNSOM) Soochow University Suzhou 215123 P. R. China

State Key Laboratory of Materials‐Oriented Chemical Engineering and College of Chemistry and Molecular Engineering Nanjing Tech University Nanjing 210009 P. R. China

Department of Science and Technology Linköping University Norrköping 60174 Sweden

Department of Physics and Astronomy Uppsala University Uppsala SE‐75120 Sweden

Funding

Knut och Alice Wallenbergs Stiftelse · Energimyndigheten · Vetenskapsrådet · China Scholarship Council · Higher Education Discipline Innovation Project · H2020 European Research Council

References (46)

Show source-provided references
1. 10.1073/pnas.160785011310.1073/pnas.1607850113 ↗
2. 10.1021/ja512117e10.1021/ja512117e ↗
3. 10.1039/C5NR06386H10.1039/C5NR06386H ↗
4. 10.1021/acs.jpclett.5b0282110.1021/acs.jpclett.5b02821 ↗
5. 10.1016/j.joule.2021.07.00810.1016/j.joule.2021.07.008 ↗
6. 10.1002/adfm.20180011310.1002/adfm.201800113 ↗
7. 10.1039/C7TC02721D10.1039/C7TC02721D ↗
8. 10.1016/j.joule.2018.06.01810.1016/j.joule.2018.06.018 ↗
9. 10.1016/j.apenergy.2019.11369010.1016/j.apenergy.2019.113690 ↗
10. 10.1039/C5EE02925B10.1039/C5EE02925B ↗
11. 10.1021/acs.jpclett.5b0142610.1021/acs.jpclett.5b01426 ↗
12. 10.1038/s41467-017-01842-410.1038/s41467-017-01842-4 ↗
13. 10.1038/s41563-017-0006-010.1038/s41563-017-0006-0 ↗
14. 10.1002/aenm.20150047710.1002/aenm.201500477 ↗
15. 10.1016/j.joule.2018.06.01710.1016/j.joule.2018.06.017 ↗
16. 10.1021/jacs.6b0964510.1021/jacs.6b09645 ↗
17. 10.1021/jacs.5b1329410.1021/jacs.5b13294 ↗
18. 10.1002/ange.20200556810.1002/ange.202005568 ↗
19. 10.1038/s41586-018-0691-010.1038/s41586-018-0691-0 ↗
20. 10.1002/solr.20220111210.1002/solr.202201112 ↗
21. 10.1002/adfm.20180737510.1002/adfm.201807375 ↗
22. 10.1016/0031-8914(67)90062-610.1016/0031-8914(67)90062-6 ↗
23. 10.1149/1.213441010.1149/1.2134410 ↗
24. 10.1039/C7MH00239D10.1039/C7MH00239D ↗
25. 10.1103/PhysRevB.94.07512510.1103/PhysRevB.94.075125 ↗
26. 10.1021/acs.jpclett.9b0087610.1021/acs.jpclett.9b00876 ↗
27. 10.1088/1674-4926/42/7/07220210.1088/1674-4926/42/7/072202 ↗
28. 10.1103/PhysRevB.106.09431610.1103/PhysRevB.106.094316 ↗
29. 10.1088/1367-2630/aaf53f10.1088/1367-2630/aaf53f ↗
30. 10.1021/acs.jpcc.2c0749310.1021/acs.jpcc.2c07493 ↗
31. 10.1021/acs.jpcc.1c0654210.1021/acs.jpcc.1c06542 ↗
32. P. M. M. C.deMelo J. C.deAbreu B.Guster M.Giantomassi Z.Zanolli X.Gonze M. J.Verstraete arXiv:2207.00364 2022.
33. 10.1103/PhysRevMaterials.7.04460510.1103/PhysRevMaterials.7.044605 ↗
34. 10.1002/cphc.20170012610.1002/cphc.201700126 ↗
35. Sheldrick G. M. · 1997
36. Kubelka P. · Z. Tech. Phys. · 1931 · 12 · 593
37. 10.1103/PhysRevB.50.1795310.1103/PhysRevB.50.17953 ↗
38. 10.1016/0927-0256(96)00008-010.1016/0927-0256(96)00008-0 ↗
39. 10.1103/PhysRevB.54.1116910.1103/PhysRevB.54.11169 ↗
40. 10.1103/PhysRevB.59.175810.1103/PhysRevB.59.1758 ↗
41. 10.1103/PhysRevLett.100.13640610.1103/PhysRevLett.100.136406 ↗
42. 10.1103/PhysRevB.57.150510.1103/PhysRevB.57.1505 ↗
43. 10.1021/acs.chemmater.2c0016310.1021/acs.chemmater.2c00163 ↗
44. 10.1103/PhysRevB.66.20510910.1103/PhysRevB.66.205109 ↗
45. 10.1103/PhysRevB.82.18443010.1103/PhysRevB.82.184430 ↗
46. 10.1103/PhysRevLett.65.35310.1103/PhysRevLett.65.353 ↗