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Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium
Authors:
Yuan-yuan
Guo
(University of St Andrews)
,
Lin-jie
Yang
(University of St Andrews)
,
Jason A.
Mcnulty
(University of St Andrews)
,
Alexandra M. Z.
Slawin
(University of Liverpool)
,
Philip
Lightfoot
(University of St Andrews)
Co-authored by industrial partner:
No
Type:
Journal Paper
Journal:
Dalton Transactions
, VOL 119
State:
Published (Approved)
Published:
November 2020
Diamond Proposal Number(s):
23579
Abstract: 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.
Subject Areas:
Chemistry
Instruments:
I11-High Resolution Powder Diffraction