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Water-driven Successive Structural Transformation in a Two-Dimensional (2D) Lead-Free Hybrid Double Perovskite.

Jiang-Feng Hong1, Bin Wang1, Xiao-Yi Zhang1

  • 1Collaborative Innovation Center of Chemistry for Energy Materials, State Key Laboratory of Physical Chemistry of Solid Surfaces and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen361005, People's Republic of China.

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|December 2, 2022
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Summary

Water molecules drive structural transformations in 2D hybrid organic-inorganic halide perovskites (HOIPs). This study reveals reversible symmetry breaking in HOIPs, paving the way for novel ferroelectric and nonlinear optical materials.

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Crystallography

Background:

  • Hybrid organic-inorganic halide perovskites (HOIPs) offer diverse structures for optoelectronics, solar cells, nonlinear optics (NLO), and ferroelectrics.
  • Water-induced structural symmetry breaking in single-crystal-to-single-crystal (SCSC) transformations is key for developing ferroelectric and second-harmonic generation (SHG) materials.

Purpose of the Study:

  • To investigate the effect of water molecules on the structural transformations and symmetry of two-dimensional (2D) double perovskites.
  • To explore the potential of water-involved SCSC transformations for creating materials with desirable optoelectronic and ferroelectric properties.

Main Methods:

  • Synthesis of a water-containing 2D double perovskite, (C6H16N2)2AgBiBr8·H2O (1).
  • Induction of SCSC transformations through dehydration and rehydration processes.
  • Crystallographic analysis to determine structural changes and symmetry.

Main Results:

  • Compound 1 underwent two SCSC transformations upon dehydration and rehydration, yielding centric (2) and acentric (3) phases.
  • An irreversible transformation occurred from 1 to 2 (P21 → Pmna).
  • A reversible conversion was observed between centric 2 and acentric 3 (Pmna ↔ P21212), highlighting the role of guest water in symmetry breaking.

Conclusions:

  • Guest water molecules effectively induce structural transformations and symmetry breaking in 2D perovskites.
  • The reversible transformation between centric and acentric phases demonstrates a pathway for designing switchable materials.
  • Findings inspire further research into water-mediated 2D materials for advanced applications.