Mono- and Co-Doped Mn-Doped CsPbCl₃ Perovskites with Enhanced Doping Efficiency and Photoluminescent Performance.

ABSTRACT: To investigate the effect of Mn and other metal dopants on the photoelectronic performance of CsPbCl₃ perovskites, we conducted a series of theoretical analyses. Our findings showed that after Mn mono-doping, the CsPbCl₃ lattice contracted and the bonding strength increased, resulting in a more compact structure of the metal octahedral cage. The relaxation of the metal octahedral cage, along with the Jahn-Teller effect, results in a decrease in lattice strain between the octahedra and a reduction in the energy of the entire lattice due to the deformation of the metal octahedron. These three factors work together to reduce intrinsic defects and enhance the stability and electronic properties of CsPbCl₃ perovskites. The solubility of the Mn dopant is signific

SUBMITTER: Jiang H 

PROVIDER: S-EPMC10456559 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature