Short Aromatic Diammonium Ions Modulate Distortions in 2D Lead Bromide Perovskites for Tunable White-Light Emission

Ping Fu, Michael A. Quintero, Claire Welton, Xiaotong Li, Bruno Cucco, Michael C. De Siena, Jacky Even, George Volonakis, Mikaël Kepenekian, Runze Liu, Craig C. Laing, Vladislav Klepov, Yukun Liu, Vinayak P. Dravid, G. N. Manjunatha Reddy, Can Li, Mercouri G. Kanatzidis*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


White-light broadband emission in the visible range from the low-dimensional halide perovskites is commonly attributed to structural distortions in lead bromide octahedra. In this paper, we report Dion-Jacobson-phase two-dimensional (2D) lead bromide perovskites based on short aromatic diammonium cations, p-phenylene diammonium (pPDA), m-phenylene diammonium (mPDA), and two 1D compounds templated by o-phenylene diammonium (oPDA). All of the compounds exhibit white-light emission. Single-crystal X-ray diffraction analysis reveals that the distortion of the Pb octahedra is influenced by the stereochemistry of the cations and their interactions with the perovskite layers. Solid-state 1H and 207Pb NMR spectroscopy analysis further confirms this trend, whereby different 1H and 207Pb chemical shifts are observed for the pPDA and mPDA spacer cations, indicating different hydrogen-bonding interactions and octahedral distortions. Owing to the octahedral distortion, 2D (mPDA)PbBr4compounds exhibit broader white-light emission than 2D (pPDA)PbBr4. Density functional theory calculations suggest that (pPDA)PbBr4and (mPDA)PbBr4are direct-band-gap semiconductors, and they exhibit larger electronic band gaps and effective masses than the Ruddlesden-Popper-phase (BA)2PbBr4. Among the films of these compounds, 2D (mPDA)PbBr4shows the best stability, which is attributed to stronger hydrogen-bonding interactions in the material.

Original languageEnglish (US)
Pages (from-to)9685-9698
Number of pages14
JournalChemistry of Materials
Issue number21
StatePublished - Nov 8 2022

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry


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