Synthesis and characterization of CsPbCl3 perovskite doped with Nd3+: structural, optical, and energy transfer properties

The purpose of this paper is to synthesize micrometric inorganic perovskite CsPbCl3:Nd3+ and investigate the impact of doping with rare earth ions on structural and optical properties, as well as energy transfer pathways between the host and dopant. Herein, we report the solid-state reaction synthesis of a concentration series of CsPbCl3:x%Nd3+ annealed in a nitrogen atmosphere. Additional doping of a material that already exhibits luminescence with an optically active ion increases its application potential. Structural features were determined using X-ray powder diffraction and Raman spectroscopy. Morphology studies performed with scanning electron microscopy images revealed micrometric, well-separated cubic-like crystallites with a good distribution of individual elements. Surprisingly, a photoluminescence (PL) study showed that only the blue emission appears when the material is excited with a diode operating in the UV range. Apparently, the emission of Nd3+ ions can only be obtained with direct excitation of the lanthanide. The photoluminescence excitation (PLE) spectrum monitored for Nd3+ emission confirmed the lack of energy transfer between the host and dopant. Possible explanations for this behavior have been put forth and substantiated by the first-principles electronic structure calculations in the framework of hybrid density functional theory.