Lead-Free Broadband Orange-Emitting Zero-Dimensional Hybrid (PMA)3InBr6 with Direct Band Gap

Da Chen, Shiqiang Hao, Guojun Zhou, Chenkai Deng, Quanlin Liu, Shulan Ma, Christopher Wolverton, Jing Zhao*, Zhiguo Xia

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

62 Scopus citations


Low-dimensional organic-inorganic hybrid metal halides have emerged as broadband light emitters for phosphor-converted white light-emitting diodes (WLEDs). Herein, we report a new zero-dimensional (0-D) lead-free metal halide (PMA)3InBr6 [PMA+: (C6H5CH2NH3)+] that crystallizes in the monoclinic system with P21/c space group. The structure consists of slightly distorted [InBr6]3- octahedra surrounded by organic PMA+ cations. The direct band gap characteristic of (PMA)3InBr6 was demonstrated by density functional theory calculation, and its relatively wide band gap of 3.78 eV was experimentally determined. Upon 365 nm ultraviolet light excitation, (PMA)3InBr6 exhibited strong broadband orange luminescence with a full-width at half-maximum of ∼132 nm resulting from self-trapped exciton emission, and the photoluminescence quantum yield was determined to be ∼35%. A WLED fabricated by combining the orange-emitting (PMA)3InBr6, a green phosphor Ba2SiO4:Eu2+, and a blue phosphor BaMgAl10O17:Eu2+ exhibited a high color-rendering index of 87.0. Our findings indicate that the organic-inorganic hybrid (PMA)3InBr6 may have potential for luminescence-based applications.

Original languageEnglish (US)
Pages (from-to)15602-15609
Number of pages8
JournalInorganic chemistry
Issue number22
StatePublished - Nov 18 2019

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


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