4.7 Article

Synthesis, Crystal Structure and Green Luminescence in Zero-Dimensional Tin Halide (C8H14N2)2SnBr6

Journal

INORGANIC CHEMISTRY
Volume 59, Issue 14, Pages 9962-9968

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/acs.inorgchem.0c01103

Keywords

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Funding

  1. National Natural Science Foundation of China [51961145101, 51722202, 51972118]
  2. Fundamental Research Funds for the Central Universities [D2190980]
  3. Guangzhou Science & Technology Project [202007020005]
  4. Guangdong Provincial Science & Technology Project [2018A050506004]
  5. Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program [2017BT01X137]
  6. RFBR [19-52-80003]

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Organic-inorganic hybrid metal halides with broad-band emission are currently receiving an increasing interest for their unique light emission properties. Here we report a novel lead-free zero-dimensional (0D) tin halide, (C8H14N2)(2)SnBr6, in which isolated [SnBr6](4- )octahedrons are cocrystallized with organic cations, 1,3-bis(aminomethyl)benzene (C8H14N22+). Upon photoexcitation, the bulk crystals exhibit broad-band green emission peaking at 507 nm with a full width at half-maximum (fwhm) of 82 nm (0.395 eV), a Stokes shift of 157 nm (1.09 eV), and a photoluminescence quantum yield (PLQY) of 36 +/- 4%. Combined structural analysis and density functional theory (DFT) calculations indicate that the excited state structural distortion of [SnBr6](4-)octahedral units account for the formation of this green emission. The relatively small Stokes shift and narrow fwhm of the emission are hence caused by the reduced distortion of [SnBr6](4-)octahedrons and rigid molecular structure. The discovery of lead-free (C8H14N2)(2)SnBr6 and insight into the mechanism of green emission provide an essential platform toward unveiling the relationship between structure and property for 0D metal halide perovskites.

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