Transition-metal copper acts as a potential alternative for toxicity lead in exploring hypotoxicity organometal halide semiconductors (OHSs), due to its cost-effectiveness, low toxicity, earth-abundance, and near-infrared absorption. However, the known Cu-OHSs not only are limited but also exhibit unsatisfactory optoelectronic performances. Herein, we report a novel Cu-OHS (3-methylbenzo[d]thiazol-3-ium)₂Cu₃I₅ (denoted as Mebti-Cu₃I₅) constructed by one-dimensional (Cu₃I₅)^2– anionic chains charge compensated by alkylated benzothiazole counterions. The (Cu₃I₅)^2– represents a rarely reported chainlike structure formed by the edge sharing of (CuI₄) tetrahedrons and (CuI₃) plane triangles. The organic countercation Mebti with a dangling methyl on the N donor precludes the formation of a coordination bond, strong hydrogen bond, and halogen bond, which further endows Mebti-Cu₃I₅ a rare example that is assembled mainly by Coulomb interaction between inorganic and organic moieties. Mebti-Cu₃I₅ exhibits a direct band gap value of 2.40 eV with broadband absorption in the UV and visible light region. The photoconductive film device of Mebti-Cu₃I₅ fabricated by a recrystallization method shows good conductivity and high photoresponse, implying its potential application in a hypotoxicity photodetector. Density functional theory calculations were performed to unveil the band structure and the photoresponse mechanism.

中文翻译：

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（3-甲基苯并[ d ]噻唑-3-鎓）₂ Cu ₃ I ₅：通过库仑相互作用组装的碘化铜杂化光电导体

过渡金属铜具有成本效益，低毒性，大地丰满和近红外吸收等优点，是探索低毒性有机金属卤化物半导体（OHS）的潜在潜在毒性替代品。然而，已知的Cu-OHS不仅受到限制，而且表现出不令人满意的光电性能。在此，我们报道了一种由一维（Cu ₃ I ₅）^2–构成的新型Cu-OHS（3-甲基苯并[ d ]噻唑-3-鎓）₂ Cu ₃ I ₅（表示为Mebti-Cu ₃ I ₅）。阴离子链电荷被烷基化的苯并噻唑抗衡离子补偿。（铜₃我₅）^2–表示很少报告的由（CuI ₄）四面体和（CuI ₃）平面三角形的边共享形成的链状结构。N供体上带有悬挂甲基的有机抗衡离子Mebti排除了配位键，强氢键和卤素键的形成，这进一步赋予了Mebti-Cu ₃ I ₅一个罕见的例子，主要是通过无机和无机之间的库仑相互作用而组装的。有机部分。Mebti-Cu ₃ I ₅的直接带隙值为2.40 eV，在紫外和可见光区域具有宽带吸收。Mebti-Cu的光电导膜器件通过重结晶方法制造的₃ I ₅具有良好的导电性和高的光响应性，这暗示其在低毒性光电探测器中的潜在应用。进行密度泛函理论计算以揭示能带结构和光响应机理。