On the structure, synthesis, and characterization of ultrafast blue-emitting CsPbBr3 nanoplatelets

Recent developments in medical imaging techniques, in particular, those in time-of-flight positron emission tomography put new challenges on scintillating material performance that cannot be fulfilled by conventional scintillators. Bright and ultrafast nanoparticles represent promising candidates to build up an advanced detection system needed. We synthesize colloidal CsPbBr3 nanoplatelets emitting blue light with fast sub-nanosecond decay. We also prepare a nanocomposite material by embedding the nanoplatelets in the polystyrene matrix. We show that blue emission is preserved provided the composite is not exposed to UV/vis light and/or elevated temperatures. Motivated by conflicting information from the literature about the room temperature structure of colloidal CsPbX3 (X = Cl, Br, I) particles, that results being orthorhombic, rather than cubic, we perform ab initio electronic structure calculations of bulk crystals with an orthorhombic structure. We calculate optical properties, as well as exciton diameters and binding energies and compare them to those previously obtained for cubic CsPbX3 crystals.