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- W4309762209 abstract "Mn-doped halide perovskites as light-emitting materials have exhibited outstanding performance. However, the influence of Mn concentration on the luminescence performance is unclear. Herein we performed a theoretical study on the effect of Mn concentration on the luminescence behavior of Mn-doped perovskite CsPbCl3. The results revealed an abnormal variation in the host photoluminescence peak, corresponding to bandgap transition of host CsPbCl3, with Mn concentration. The host bandgap shows a blue-shift first and a subsequent red-shift with increasing Mn concentration. Our theoretical analysis proved that the blue-shift in the host photoluminescence peak is attributed to the reduced antibonding between Pb s and Cl p orbitals atoms by Mn substituting Pb. The subsequent red-shift results from the shortened Pb–Cl bonds, pushing up the Pb s-Cl p antibonding states. Our work provides a further insight into the fundamental strategy of Mn doping for improving luminescence performance in perovskite-based light-emitting devices." @default.
- W4309762209 created "2022-11-29" @default.
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- W4309762209 date "2023-02-01" @default.
- W4309762209 modified "2023-10-16" @default.
- W4309762209 title "Abnormal variation in the host bandgap of Mn-doped perovskite CsPbCl3" @default.
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- W4309762209 doi "https://doi.org/10.1016/j.physb.2022.414507" @default.
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