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  • 1.
    Starkholm, Allan
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Kloo, Lars
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Svensson, Per H.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Applied Physical Chemistry.
    Polyiodide Hybrid Perovskites: A Strategy To Convert Intrinsic 2D Systems into 3D Photovoltaic Materials2019In: ACS Applied Energy Materials, ISSN 2574-0962, Vol. 2, no 1, p. 477-485Article in journal (Refereed)
    Abstract [en]

    Two new organic inorganic hybrid perovskite compounds, (Me3S)(2)Pb5I14*2I(2) (1) and (C8H11S)(2)Pb2I6*I-2 (2), have been synthesized and subsequently characterized in this study. The materials were synthesized from facile one-pot, one-step reactions of lead iodide, corresponding sulfide, methanol, iodine, and hydroiodic acid in the case of 2. Structural analysis reveals the presence of polyiodide entities in both compounds. Compound 1 contains triiodide anions, I-3(-), that are uniquely shared between the 2D inorganic slabs, forming a 3D network. Both 1 and 2 have I-2 molecules that are bridging the inorganic slabs through a structural motif that can be regarded as a tetraiodide anion, I-4(2-). Optical spectroscopy shows band gaps of 1.86 eV for 1 and 1.89 eV for 2. The optoelectronic properties were further investigated with band structure calculations. Single-crystal IV-characteristics of 1 show that the compound is photoactive confirming it as a promising photovoltaic candidate. Compound 1 highlights a novel strategy of designing 3D semiconducting hybrid materials by incorporating polyiodides to provide direct geometric and electronic connections between the semiconducting inorganic perovskite sheets.

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