Crystals, Vol. 15, Pages 530: Synthesis and High-Pressure Stability Study of Energetic Molecular Perovskite DAI-X1

Crystals doi: 10.3390/cryst15060530

Authors:
Tingting Yan
Han Li
Dongyang Xi
Linan Liu
Lei Sun
Dinghan Jin

In the pursuit of advancing the knowledge of energetic materials, we successfully formulated the energetic perovskite DAI-X1 with the chemical formula (C12H50I6N3Na2O36). Energetic perovskites hold great promise in various applications, including high-energy storage and propulsion systems, due to their unique combination of high energy density and structural versatility. DAI-X1, in particular, has attracted our attention because of its potential for optimized performance in these areas. We conducted an in-depth investigation into the high-pressure stability of DAI-X1 using in situ high-pressure Raman spectroscopy analysis. DAI-X1 possesses a cubic ABX3 perovskite structure, and notable modifications in its Raman spectroscopic characteristics were noted within the pressure interval of 2.5–7.8 GPa, indicating structural instability under high pressure and suggesting a possible phase transition. Upon pressure release following compression to 12.5 GPa, the Raman spectra exhibit partial reversibility of the phase transition, as certain characteristic peaks return to their original positions while others retain irreversible shifts. This study establishes fundamental understanding for investigating high-pressure responses in DAI-X1 and analogous energetic materials.

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Tingting Yan www.mdpi.com