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• W3204194820 abstract "Sb3+- and Bi3+-doped Cs2SnCl6 zero-dimensional perovskites are emerging as stable and nontoxic phosphors for light emitting diodes. The outermost s-electrons (ns2) of the dopants are responsible for both light absorption (ns2 to ns1np1) and emission (ns1np1 to ns2). At cryogenic temperatures, the Sb3+ dopant shows two emission peaks, but Bi3+ shows only one emission peak. Why? Here we address such questions, revealing the origin of luminescence in Sb3+- and Bi3+-doped Cs2SnCl6. We find that the emitting excited state ns1np1 is a triplet state 3T1u*. The notation * implies spin-orbit coupling between the 3T1u and 1T1u states. After light absorption, 3T1u* is occupied with one electron, which then undergoes Jahn-Teller distortion yielding a relaxed excited state (RES). For the Sb3+ dopant, the combination of Jahn-Teller distortion and spin-orbit coupling gives rise to two minima in RES 3T1u*, resulting in two emission peaks, whereas for the Bi3+ dopant, the spin-orbit coupling significantly dominates over the Jahn-Teller splitting yielding a single minimum in RES 3T1u* and, therefore, a single emission peak." @default.
• W3204194820 created "2021-10-11" @default.
• W3204194820 creator A5030310096 @default.
• W3204194820 creator A5051005988 @default.
• W3204194820 date "2021-10-07" @default.
• W3204194820 modified "2023-10-16" @default.
• W3204194820 title "Origin of Luminescence in Sb³⁺- and Bi³⁺-Doped Cs₂SnCl₆ Perovskites: Excited State Relaxation and Spin–Orbit Coupling" @default.
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• W3204194820 doi "https://doi.org/10.1021/acs.jpclett.1c02973" @default.
• W3204194820 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34618471" @default.
• W3204194820 hasPublicationYear "2021" @default.
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