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. 2021 Apr 23;6(5):1869–1878. doi: 10.1021/acsenergylett.1c00553

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Manganese DOS contribution in ⁶Mn²⁺ and ⁵Mn³⁺ electronic states for Mn-doped CsPbCl₃, MAPbBr₃, and MAPbI₃ perovskites. The manganese–halide bonding (antibonding) states are highlighted in blue (orange), and the percentage weight of each region compared to the total is also reported. The VB of CsPbCl₃ is set to zero, while the energies of Mn-doped MAPbBr₃ and MAPbI₃ perovskites are aligned to that of Mn-doped CsPbCl₃. The dashed lines represent the aligned VB edges.