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Chemistry-Inspired Adaptable Framework Structures.

Zhiguo Xia1, Kenneth R Poeppelmeier2

  • 1The Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing , Beijing 100083, China.

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Summary
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Cosubstitution, a method of simultaneously replacing multiple components in crystalline frameworks, enables the creation of novel advanced functional materials. This approach, inspired by natural minerals, expands the discovery of new phases and enhances material properties.

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Area of Science:

  • Solid-state chemistry and materials science.
  • Exploration of adaptable crystalline frameworks for advanced functional materials.

Background:

  • Adaptable crystalline frameworks are crucial for accommodating diverse elements, oxidation states, and stoichiometries.
  • These frameworks serve as prototypes for technologically important advanced functional materials.

Purpose of the Study:

  • To explore cosubstitution as a strategy for creating new crystalline framework structures.
  • To demonstrate the application of cosubstitution in synthesizing advanced functional materials with improved properties.

Main Methods:

  • Investigating cosubstitution, defined as the simultaneous replacement of multiple structural components (cations, anions, vacancies).
  • Drawing inspiration from mineral-type structural prototypes (e.g., perovskite, lyonsite) and laboratory-discovered structures.
  • Synthesizing new cosubstituted solid-state materials, including nonlinear optical, luminescent, transparent conducting oxides, and photocatalyst/photovoltaic materials.

Main Results:

  • Cosubstitution facilitates the discovery of new material phases and the development of adaptable framework structures.
  • Mineral-inspired structures like lyonsite show promise as Li-ion conductors and photocatalysts, with potential for noncentrosymmetric properties.
  • Successful synthesis of various functional materials, including nonlinear optical, luminescent, transparent conducting oxides, and photocatalyst/photovoltaic materials, via cosubstitution.

Conclusions:

  • Cosubstitution is a powerful concept for designing and discovering new adaptable crystalline frameworks and functional materials.
  • A combined theoretical and experimental approach is essential for understanding the thermodynamic stability and properties of complex cosubstituted systems.
  • The cosubstitution strategy holds significant potential for future advancements in solid-state chemistry and materials science.