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Neutral X-Site ABX3-Type Perovskites.

Xiao-Gang Chen1, Yan Qin1, Yan-Ran Weng1

  • 1Ordered Matter Science Research Center, Nanchang University, Nanchang, P. R. China.

Angewandte Chemie (International Ed. in English)
|May 7, 2026
PubMed
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Researchers developed a new class of perovskite materials using neutral molecules, expanding chemical flexibility and enabling tunable properties. These novel ABX3 perovskites with neutral X-sites offer new possibilities for advanced material functionalities.

Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Crystallography

Background:

  • Perovskite materials (ABX3) are known for diverse properties and chemical versatility.
  • Existing perovskites primarily use ionic components at A-, B-, and X-sites.
  • A need exists for expanding the chemical space of perovskites to unlock new functionalities.

Purpose of the Study:

  • Introduce a novel subclass of three-dimensional ABX3 perovskites.
  • Utilize neutral molecules as the X-site component.
  • Investigate the structural and ferroelastic properties of these new materials.

Main Methods:

  • Synthesis of novel ABX3 perovskites with neutral 1,4-dioxane as the X-site.
  • Structural characterization of (PF6)Na(1,4-dioxane)3 and (ClO4)Ag(1,4-dioxane)3.
Keywords:
ABX3 perovskiteferroelastichybrid perovskitesphase transition

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  • Investigation of ferroelastic transitions using temperature-dependent studies.

    • Main Results:

    • Demonstrated stable 3D perovskite frameworks with neutral X-sites within Goldschmidt tolerance.
    • (PF6)Na(1,4-dioxane)3 exhibits a ferroelastic transition at 290 K.
    • (ClO4)Ag(1,4-dioxane)3 shows successive ferroelastic transitions and switchable birefringence.

    Conclusions:

    • The introduction of neutral X-site molecules significantly expands chemical flexibility in ABX3 perovskites.
    • This new subclass enables precise modulation of structural and functional properties.
    • These findings open avenues for novel material functionalities and applications.