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<p>Two-dimensional (2D) metal halide perovskites have attracted considerable attention for optoelectronic applications. Conventional 2D perovskites include Ruddlesden–Popper (R-P), Dion–Jacobson (D-J) and alternating cation phases. Here we introduce a class of 2D perovskite incorporating intralayer bidentate ligands, termed B-D phase perovskites, designed to enhance structural diversity and stability. We synthesized bidentate ligands with a rigid core unit and two ipsilateral ammonium-terminated linker groups, and obtained single crystals incorporating these B-D ligands with intralayer bidentate coordination. Molecular dynamics simulations reveal that the B-D ligand exhibits stronger binding energies to the inorganic layer compared with its R-P and D-J phase counterparts. Polycrystalline thin films of B-D phase showed superior thermal resistance, outperforming R-P and D-J phase analogues by 1,600% and 140% respectively, based on absorption stability assessments. Photovoltaic devices incorporating the B-D ligand exhibited higher power conversion efficiency and extended stability. These findings establish B-D phase 2D perovskites as a promising platform for next-generation optoelectronic applications, advancing ligand engineering for metal halide perovskites and other hybrid materials.</p><p></p>

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Intralayer bidentate diammoniums for stable two-dimensional perovskites

  • 期刊论文

  • 发表日期：

    2026年1月5日

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  • Chenjian Lin,
  • Yuanhao Tang,
  • Zhichen Nian,
  • Aidan H. Coffey,
  • Yunfei Wang,
  • Hanjun Yang,
  • Pengfei Wu,
  • Yu-Ting Yang,
  • Syed Joy,
  • Kenneth R. Graham,
  • Wenzhan Xu,
  • Chenhui Zhu,
  • Brett M. Savoie,
  • Letian Dou

摘要

Two-dimensional (2D) metal halide perovskites have attracted considerable attention for optoelectronic applications. Conventional 2D perovskites include Ruddlesden–Popper (R-P), Dion–Jacobson (D-J) and alternating cation phases. Here we introduce a class of 2D perovskite incorporating intralayer bidentate ligands, termed B-D phase perovskites, designed to enhance structural diversity and stability. We synthesized bidentate ligands with a rigid core unit and two ipsilateral ammonium-terminated linker groups, and obtained single crystals incorporating these B-D ligands with intralayer bidentate coordination. Molecular dynamics simulations reveal that the B-D ligand exhibits stronger binding energies to the inorganic layer compared with its R-P and D-J phase counterparts. Polycrystalline thin films of B-D phase showed superior thermal resistance, outperforming R-P and D-J phase analogues by 1,600% and 140% respectively, based on absorption stability assessments. Photovoltaic devices incorporating the B-D ligand exhibited higher power conversion efficiency and extended stability. These findings establish B-D phase 2D perovskites as a promising platform for next-generation optoelectronic applications, advancing ligand engineering for metal halide perovskites and other hybrid materials.