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Remarkable Thermochromism in the Double Perovskite Cs2NaFeCl6
Linköpings universitet, Institutionen för fysik, kemi och biologi, Elektroniska och fotoniska material. Linköpings universitet, Tekniska fakulteten.ORCID-id: 0000-0002-7794-8348
Linköpings universitet, Institutionen för fysik, kemi och biologi, Teoretisk Fysik. Linköpings universitet, Tekniska fakulteten.
Linköpings universitet, Institutionen för fysik, kemi och biologi, Elektroniska och fotoniska material. Linköpings universitet, Tekniska fakulteten.ORCID-id: 0000-0001-7862-2377
Linköpings universitet, Institutionen för fysik, kemi och biologi, Elektroniska och fotoniska material. Linköpings universitet, Tekniska fakulteten.
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2023 (Engelska)Ingår i: Advanced Optical Materials, ISSN 2162-7568, E-ISSN 2195-1071, artikel-id 2301102Artikel i tidskrift (Refereegranskat) Epub ahead of print
Abstract [en]

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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Wiley-Blackwell, 2023. artikel-id 2301102
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Fysikalisk kemi
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URN: urn:nbn:se:liu:diva-197177DOI: 10.1002/adom.202301102ISI: 001049682400001OAI: oai:DiVA.org:liu-197177DiVA, id: diva2:1791174
Forskningsfinansiär
Knut och Alice Wallenbergs Stiftelse, Dnr. KAW 2019.0082Energimyndigheten, 2018‐004357Vetenskapsrådet, 2021‐00357Vetenskapsrådet, 2019–05551Vetenskapsrådet, 2022–06725Vetenskapsrådet, 2018–05973
Anmärkning

Funding agencies: This work was financially supported by the Knut and Alice Wallenberg Foundation (Dnr. KAW 2019.0082), the Swedish Energy Agency (2018-004357), Carl Tryggers Stiftelse, Olle Engkvist Byggmästare Stiftelse, and the Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University (Faculty Grant SFO-Mat-LiU No. 2009-00971). I.A.A. is a Wallenberg Scholar. B.B. gratefully acknowledges financial support from the Swedish Research Council (VR) grant no. 2021-00357. F.J. was supported by the China Scholarship Council (CSC). W.N. acknowledges the Suzhou Key Laboratory of Functional Nano & Soft Materials, the Collaborative Innovation Center of Suzhou Nano Science & Technology (NANO−CIC), and the 111 Project for the financial support. S.I.S. acknowledges the support from the Swedish Research Council (VR) (Project No. 2019–05551) and the ERC (synergy grant FASTCORR project 854843). The computations were enabled by resources provided by the National Academic Infrastructure for Supercomputing in Sweden (NAISS), the Swedish National Infrastructure for Computing (SNIC) at the National Supercomputer Center (NSC), and the Center for High Performance Computing (PDC), partially funded by the Swedish Research Council through Grant Agreements No. 2022–06725 and No. 2018–05973. F.W. gratefully acknowledges financial support from the Open Project Funding of Jiangsu Key Laboratory for Carbon-based Functional Materials & Devices, Soochow University (KJS2152), and the Formas (2020-03001). M.M. acknowledges financial support from Swedish Energy Research (Grant no. 43606-1) and the Carl Tryggers Foundation (CTS20:272, CTS16:303, CTS14:310).

Tillgänglig från: 2023-08-24 Skapad: 2023-08-24 Senast uppdaterad: 2023-09-13

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Ji, FuxiangKlarbring, JohanZhang, BinWang, FengNing, WeihuaZhang, MuyiBakhit, BabakMagnuson, MartinFahlman, MatsBuyanova, Irina AChen, WeiminSimak, Sergei IAbrikosov, Igor A.Gao, Feng

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Ji, FuxiangKlarbring, JohanZhang, BinWang, FengNing, WeihuaZhang, MuyiCai, XinyiBakhit, BabakMagnuson, MartinFahlman, MatsBuyanova, Irina AChen, WeiminSimak, Sergei IAbrikosov, Igor A.Gao, Feng
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Elektroniska och fotoniska materialTekniska fakultetenTeoretisk FysikTunnfilmsfysikLaboratoriet för organisk elektronik
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