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Pyridinium lead tribromide and pyridinium lead triiodide: quasi-one-dimensional perovskites with an optically active aromatic π-system

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Abstract

Two novel hybrid organic–inorganic perovskites, pyridinium lead tribromide and pyridinium lead triiodide, are prepared. Based on the XRD data, we find that the compounds are quasi-one-dimensional crystals of Pna21 symmetry. DFT calculations demonstrate that the valence band of the new compounds is comprised of the occupied p-orbitals of the halogen anions, while their conduction bands CB and CB + 1 are composed mainly of the unoccupied π-orbitals of the aromatic pyridinium rings. The computed DOS matches well with the recorded XPS spectra. The pyridinium lead tribromide and pyridinium lead triiodide absorption peaks derived from the experimental DRS are located at ∼3.1 eV and ∼2.4 eV, respectively. An agreement between the experimentally and theoretically predicted absorption spectra is found. The synthesized compounds extend the range of quasi-one-dimensional organometallic perovskites suitable for optical and possibly electronic applications.

Graphical abstract: Pyridinium lead tribromide and pyridinium lead triiodide: quasi-one-dimensional perovskites with an optically active aromatic π-system

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Publication details

The article was received on 25 Jul 2018, accepted on 25 Oct 2018 and first published on 25 Oct 2018


Article type: Paper
DOI: 10.1039/C8DT03041C
Citation: Dalton Trans., 2018, Advance Article
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    Pyridinium lead tribromide and pyridinium lead triiodide: quasi-one-dimensional perovskites with an optically active aromatic π-system

    N. I. Selivanov, A. A. Murashkina, R. Kevorkyants, A. V. Emeline and D. W. Bahnemann, Dalton Trans., 2018, Advance Article , DOI: 10.1039/C8DT03041C

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