Fig. 3: Exciton-harvesting mechanism in Cs3Cu2I5:Tl.
From: Exciton-harvesting enabled efficient charged particle detection in zero-dimensional halides
a Radioluminescence spectra of Cs3Cu2I5:Tl. b, c Calculated band structures of Cs3Cu2I5 (b) and Cs3Cu2I5:Tl (c) by the PBE functional. d, e, f Structure and excited electron distribution of [Cu2I5]3- anion in Cs3Cu2I5:Tl crystal at ground state (d), STE state (e), and Tl-bound exciton state (f) by the HSE calculation. g Theoretical single-particle electronic energy levels and scintillation emission mechanisms in Cs3Cu2I5 and Cs3Cu2I5:Tl under ionizing radiation
