Publication date: 15th December 2025
Mixed-halide perovskite nanocrystals (NCs) are leading candidates for high-efficiency optoelectronics due to their remarkable bandgap tunability and high quantum yields. However, their performance is fundamentally linked to their electronic and structural properties, stemming from complex lattice instabilities inherent to their crystal framework [1]. This study explores the potential of CsPb(Br1−xClx)3 NCs as high-performance phosphors for white LED applications by investigating their structural and optical response under high hydrostatic pressure. Using high-pressure synchrotron X-ray diffraction (HP-XRD) and photoluminescence (PL) spectroscopy, we demonstrate that Cl-substitution significantly influences the material's structural stability and emissive properties. While pure bromide samples exhibit two distinct phase transitions at 1.5 GPa and 2.4 GPa, the introduction of chlorine (x=0.3, 0.4) shifts the first transition to lower pressures (~0.9 GPa) and gradually increases structural disorder under pressure. Most notably, in these mixed-halide compositions, we observe the emergence of an intense, broadband emission spectrum spanning ca. 800 meV at pressures exceeding 3 GPa. As a preliminary interpretation, supported by comparisons with high-pressure PL in MAPbBr3 single crystals [2] and pure PbBr2 [3], we suggest that this broadband signal does not originate from the perovskite host itself. Instead, it likely arises from radiative recombination at PbBr2 inclusions. These findings highlight how internal structural modifications can be used to engineer broadband emission, providing a roadmap for the design of stable, energy-efficient "white" LEDs based on perovskite NCs.
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