ArticleNature materials2026
Octahedral connectivity reconfigures interfacial carrier-selective properties for efficient perovskite solar cells.
Article in Nature materials, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Regulation of electron- or hole-selective interfacial properties has traditionally relied on extrinsic chemical doping. Here we report a structurally driven strategy for modulating carrier-selective electronic characteristics through the organic-cation-induced reconfiguration of lead iodide octahedral connectivity. Two closely related imidazoline-based cations, which differ by only a single heteroatom, drive the formation of one-dimensional organic lead triiodide phases with distinct octahedral-sharing patterns. Single-crystal analysis combined with theoretical calculations reveals that the variation in connectivity reshapes orbital coupling, leading to pronounced changes in the work function and absolute band-edge positions that give rise to distinct carrier-selective interfacial behaviour without the introduction of extrinsic dopants. Leveraging this structural reconfiguration-induced electronic modulation, we realize complementary charge-selective contacts in perovskite solar cells, achieving a power conversion efficiency of 27.61% (certified steady-state 27.19%), together with excellent operational stability and scalability, including 22.26% efficiency in 655-cm
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