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Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium
Dalton Transactions ( IF 4 ) Pub Date : 2020-11-10 , DOI: 10.1039/d0dt02936j
Yuan-Yuan Guo 1, 2, 3, 4 , Lin-Jie Yang 1, 2, 3, 4 , Jason A. McNulty 1, 2, 3, 4 , Alexandra M. Z. Slawin 1, 2, 3, 4 , Philip Lightfoot 1, 2, 3, 4
Affiliation  

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.

中文翻译:

以(1,2),4-三唑鎓为模板的(001)取向层状卤化铅钙钛矿中的结构变化

一种新的杂化铅(II)卤化物钙钛矿(TzH)2 PbCl 4([[TzH + ] = 1,2,4-三唑鎓))采用(001)取向的层状钙钛矿结构,可以认为是由所述ñ = 1 Ruddlesden-波普(RP)的类型。可变温度单晶X射线衍射显示在高温高对称多晶型空间群Cmcm和低温低对称手性多晶型空间群P 2之间的125 K < T <173 K区域中结构相变1 2 1 2 1,其单位细胞体积增加了三倍。UV-Vis光谱表明(TzH)2 PbCl 4的带隙为3.30 eV 。还报道了溴化物类似物的第二个多晶型物(TzH)2 PbBr 4 -II,并讨论了所有三个变体之间的结构关系。
更新日期:2020-11-17
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