Three new lead iodide chain compounds, APbI3, templated by molecular cations

Yuan-Yuan Guo; Lin-Jie Yang; Philip Lightfoot

doi:10.3390/cryst9120616

Three new lead iodide chain compounds, APbI₃, templated by molecular cations

Yuan-Yuan Guo, Lin-Jie Yang, Philip Lightfoot

Research output: Contribution to journal › Article › peer-review

Abstract

The crystal structures of three new hybrid organic-inorganic lead halide compounds [IqH]PbI₃, [4MiH]PbI₃, and [BzH]PbI₃ ([IqH⁺] = isoquinolinium, [4MiH⁺] = 4-methylimidazolium, [BzH⁺] = benzotriazolium) have been determined by single crystal x-ray diffraction. All three compounds have the same generic formula as perovskite, ABX₃, but adopt a rare non-perovskite structure built from one dimensional (1D) edge-sharing octahedral chains. The bandgap of each compound was investigated by solid UV–Vis spectra. In comparison with previously reported hybrid compounds containing the same type of octahedral chains, [C₁₀H₇CH₂NH₃]Pbl₃ and (C₇H₇N₂)PbI₃, all three new compounds have lower bandgaps (<2.4 ev), indicating that they may be promising for photovoltaic application.

Original language	English
Article number	616
Number of pages	9
Journal	Crystals
Volume	9
Issue number	12
DOIs	https://doi.org/10.3390/cryst9120616
Publication status	Published - 24 Nov 2019

Keywords

Lead halides
Hybrid perovskites
Crystal structure

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.3390/cryst9120616Licence: CC BY

Guo_2019_Crystals_Three_CC
Copyright © 2019 The Author(s). This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Final published version, 1.11 MBLicence: CC BY

Three new lead iodide chain compounds, APbI3, templated by molecular cations (dataset)
Lightfoot, P. (Creator), Guo, Y. (Creator) & Yang, L. (Creator), University of St Andrews, Nov 2019
DOI: 10.17630/bb979bce-5a77-45cf-b0c4-dfa7bd5c4588
Dataset

File

Cite this

@article{c600375a58204a95b179dd24081a2edf,

title = "Three new lead iodide chain compounds, APbI3, templated by molecular cations",

abstract = "The crystal structures of three new hybrid organic-inorganic lead halide compounds [IqH]PbI3, [4MiH]PbI3, and [BzH]PbI3 ([IqH+] = isoquinolinium, [4MiH+] = 4-methylimidazolium, [BzH+] = benzotriazolium) have been determined by single crystal x-ray diffraction. All three compounds have the same generic formula as perovskite, ABX3, but adopt a rare non-perovskite structure built from one dimensional (1D) edge-sharing octahedral chains. The bandgap of each compound was investigated by solid UV–Vis spectra. In comparison with previously reported hybrid compounds containing the same type of octahedral chains, [C10H7CH2NH3]Pbl3 and (C7H7N2)PbI3, all three new compounds have lower bandgaps (<2.4 ev), indicating that they may be promising for photovoltaic application.",

keywords = "Lead halides, Hybrid perovskites, Crystal structure",

author = "Yuan-Yuan Guo and Lin-Jie Yang and Philip Lightfoot",

note = "This research was funded by the China Scholarship Council, grant number 201603780005” the University of St Andrews.",

year = "2019",

month = nov,

day = "24",

doi = "10.3390/cryst9120616",

language = "English",

volume = "9",

journal = "Crystals",

issn = "2073-4352",

publisher = "MDPI AG",

number = "12",

}

TY - JOUR

T1 - Three new lead iodide chain compounds, APbI3, templated by molecular cations

AU - Guo, Yuan-Yuan

AU - Yang, Lin-Jie

AU - Lightfoot, Philip

N1 - This research was funded by the China Scholarship Council, grant number 201603780005” the University of St Andrews.

PY - 2019/11/24

Y1 - 2019/11/24

N2 - The crystal structures of three new hybrid organic-inorganic lead halide compounds [IqH]PbI3, [4MiH]PbI3, and [BzH]PbI3 ([IqH+] = isoquinolinium, [4MiH+] = 4-methylimidazolium, [BzH+] = benzotriazolium) have been determined by single crystal x-ray diffraction. All three compounds have the same generic formula as perovskite, ABX3, but adopt a rare non-perovskite structure built from one dimensional (1D) edge-sharing octahedral chains. The bandgap of each compound was investigated by solid UV–Vis spectra. In comparison with previously reported hybrid compounds containing the same type of octahedral chains, [C10H7CH2NH3]Pbl3 and (C7H7N2)PbI3, all three new compounds have lower bandgaps (<2.4 ev), indicating that they may be promising for photovoltaic application.

AB - The crystal structures of three new hybrid organic-inorganic lead halide compounds [IqH]PbI3, [4MiH]PbI3, and [BzH]PbI3 ([IqH+] = isoquinolinium, [4MiH+] = 4-methylimidazolium, [BzH+] = benzotriazolium) have been determined by single crystal x-ray diffraction. All three compounds have the same generic formula as perovskite, ABX3, but adopt a rare non-perovskite structure built from one dimensional (1D) edge-sharing octahedral chains. The bandgap of each compound was investigated by solid UV–Vis spectra. In comparison with previously reported hybrid compounds containing the same type of octahedral chains, [C10H7CH2NH3]Pbl3 and (C7H7N2)PbI3, all three new compounds have lower bandgaps (<2.4 ev), indicating that they may be promising for photovoltaic application.

KW - Lead halides

KW - Hybrid perovskites

KW - Crystal structure

U2 - 10.3390/cryst9120616

DO - 10.3390/cryst9120616

M3 - Article

SN - 2073-4352

VL - 9

JO - Crystals

JF - Crystals

IS - 12

M1 - 616

ER -