Pb2BO3I: A Borate Iodide with the Largest Second-Harmonic Generation (SHG) Response in the KBe2BO3F2 (KBBF) Family of Nonlinear Optical (NLO) Materials

Hongwei Yu, Nathan Z. Koocher, James M. Rondinelli*, P. Shiv Halasyamani

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

72 Scopus citations


Borate halides are an ideal materials class from which to design high-performance nonlinear optical (NLO) materials. Currently, borate fluorides, chlorides, and bromides are extensively investigated while borate iodide materials discovery remains rare because of the perceived synthetic challenges. We report a new borate iodide, Pb2BO3I, synthesized by a straightforward hydrothermal method. The Pb2BO3I chemical formula conceals that the compound exhibits a structure similar to the well-established KBe2BO3F2 (KBBF), which we show supports the highest second-harmonic generation (SHG) at 1064 nm in the KBBF family, 10 × KH2PO4 (KDP), arising from the inclusion of Pb2+ and I and the crystal chemistry. Our work shows that KBBF-related compounds can be synthesized incorporating iodide and exhibit superior NLO responses.

Original languageEnglish (US)
Pages (from-to)6100-6103
Number of pages4
JournalAngewandte Chemie - International Edition
Issue number21
StatePublished - May 22 2018


  • PbBOI
  • borates
  • iodides
  • nonlinear optical materials
  • second-harmonic generation

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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