Structural variations in (001)-oriented layered lead halide perovskites templated by 1,2,4-triazolium

Yuan-Yuan Guo, Lin-Jie Yang, Jason A. McNulty, Alexandra M. Z. Slawin, Philip Lightfoot*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)
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A new hybrid lead(II) halide perovskite, (TzH)2PbCl4, ([TzH+] = 1,2,4-triazolium), adopts a (001)-oriented layered perovskite structure, which can be considered as derived from the n = 1 Ruddlesden-Popper (RP) type. Variable temperature single crystal X-ray diffraction reveals a structural phase transition in the region 125 K < T < 173 K between a high temperature, high symmetry polymorph, space group Cmcm, and a low temperature, low symmetry chiral polymorph, space group P212121, which has a tripled unit cell volume. UV-Vis spectra suggest a band gap of 3.30 eV for (TzH)2PbCl4. A second polymorph of the bromide analogue, (TzH)2PbBr4-Ⅱ, is also reported, and structural relationships between all three variants are discussed.
Original languageEnglish
JournalDalton Transactions
VolumeIn press
Early online date10 Nov 2020
Publication statusE-pub ahead of print - 10 Nov 2020


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