Modulating electronic properties of pyridinium lead halide perovskites via fluorinated methyl substituents

We study the effect of variation in donor/acceptor strength of aromatic ring's substituent on electronic properties of novel low-dimensional 3-(R)pyridinium lead halide perovskites, R = CH(3-n)Fn (n = 0–3). First, the series of hypothetical quasi 1D perovskites having Pbca crystal structure of...

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Veröffentlicht in:	Materials chemistry and physics 2021-11, Vol.273, p.125139, Article 125139
Hauptverfasser:	Kevorkyants, R., Selivanov, N.I., Emeline, A.V.
Format:	Artikel
Sprache:	eng
Schlagworte:	Aromatic compounds Crystal structure Density functional theory DFT Electronic properties Energy gap Fluorination Halides Lead compounds Metal halides One dimensional models Organometal halide perovskites Perovskites Substitutes Two dimensional models
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