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Updated: Oct 25, 2026
Monovalent Cation Doping of CH3NH3PbI3 for Efficient Perovskite Solar Cells
Published on: March 19, 2017
Isovalent B-Site Cation Engineering Enables Multimode Optical Storage in Metal Halide Perovskite
Liangyi Gu1, Jiahong Li1, Jian Wang1
1School of Applied Physics and Materials, Wuyi University, Jiangmen, Guangdong529020, P. R. China.
Abstract:
Systematic strategies for modulating trap distributions through B-site cation engineering in metal halide phosphors remain elusive. Here, we employ density functional theory to guide the isovalent substitution of Cd2+ with Zn2+ in Cs3Cd2Cl7:Sb3+ afterglow phosphors. By leveraging the electronegativity difference and ionic radius mismatch between Zn2+ and Cd2+, we perturb the local bonding environment while preserving the [SbCl6]3- emission framework. Zn2+ incorporation modifies the local structural and electronic environments, while thermoluminescence spectroscopy reveals a broadened trap distribution. The optimized composition, Cs3Cd1.95Zn0.05Cl7:0.04Sb3+, exhibits prolonged afterglow exceeding 180 s-substantially longer than that of the undoped counterpart, while maintaining green self-trapped exciton (STE) emission centered at 518 nm. These engineered defects enable multimode optical readout via thermal stimulation, 980 nm photostimulation, and X-ray excitation. This work establishes a clear correlation between B-site cation identity and defect energetics, providing actionable design principles for next-generation optical storage materials.
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