Organic Ligand Engineering for Tailoring Electron–Phonon Coupling in 2D Hybrid Perovskites

• DOI: 10.1021/acs.nanolett.4c00463
• Publication Date: 2024-05-10T10:12:12Z
• Authors: Zhenwei Ou; Cheng Wang; Zhi-Guo Tao; Yahui Li; Zhe Li; Yan Zeng; Yan Li; Enzheng Shi; Weibin Chu; Ti Wang; Hongxing Xu

In the emerging two-dimensional organic–inorganic hybrid perovskites, electronic structures and carrier behaviors are strongly impacted by intrinsic electron–phonon interactions, which have received inadequate attention. this study, we report an intriguing phenomenon of negative diffusion induced coupling in (2T)2PbI4. Theoretical calculations reveal that drives band alignment (2T)2PbI4 to alternate between type I II heterostructures. As a consequence, photoexcited holes undergo transitions organic ligands inorganic layers, resulting abnormal transport behavior compared other perovskites. These findings provide valuable insights into role shaping alignments They also open up exciting avenues for designing fabricating functional semiconductor heterostructures with tailored properties.