Synthesis, Single-Crystal Structure and Characterization of (CH3NH3)2Pb(SCN)2I2
Synthesis, Single-Crystal Structure and Characterization of (CH3NH3)2Pb(SCN)2I2
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DOI：
10.1002/anie.201506449
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发表时间：
2015-09-14
影响因子：
16.6
通讯作者：
Hillebrecht, Harald
中科院分区：
文献类型：
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作者：
Daub, Michael;Hillebrecht, Harald
(MAPbI3)是染料太阳能电池的有效材料。江等人。已经表明，用 SCNÀ 部分取代 IÀ 会产生一种具有增强的抗水解稳定性的新染料。[1]他们提出 MAPb-(SCN) 2I 作为活性材料，并报道了与立方钙钛矿密切相关的结构，即 MAPbI3。然而，为了更详细的表征，我们考虑研究单晶和纯相样品。第一步，江等人描述了染料在光电池上沉积的条件。模拟单晶的生长。 Pb (SCN) 2 根据Brauer [2]制备为单相产物。纯MAI采用Poglisch等人的方法获得[3]将0.20g Pb(SCN) 2 和0.15g MAI溶解在0.6mL DMF中并在搅拌下加热至608℃。冷却并蒸发 DMF 后，黑色单晶从溶液中沉淀出来。单晶研究 [4] 揭示了斜方晶胞（a= 18.580 (2)、b= 6.2668 (6)、c= 6.4658 (6)）。空间群 Pnm21 中的结构求解和细化毫无困难地进行。该化合物被证明是 MA2Pb (SCN) 2I2 ，其结构与
(MAPbI3) is an effective material for dye solar cells. Jiang etal. have shown that the partial substitution of IÀ by SCNÀ results in a new dye with enhanced stability against hydrolysis.[1] They proposed MAPb-(SCN) 2I as the active material and reported a structure closely related to the cubic perovskite, as it is known for MAPbI3. However, for a more detailed characterization we considered to investigate single crystals and phase-pure samples. As a first step, the conditions for the deposition of the dye on the photocell as they were described by Jiang et al. were simulated for the growth of single crystals. Pb (SCN) 2 was prepared according to Brauer [2] as a single-phase product. Pure MAI was obtained with the method of Poglisch et al.[3] 0.20 g Pb (SCN) 2 and 0.15 g MAI were dissolved in 0.6 mL DMF and heated under stirring to 608C. Upon cooling and evaporation of DMF black single crystals precipitated from the solution.The single-crystal investigation [4] revealed an orthorhombic unit cell (a= 18.580 (2), b= 6.2668 (6), c= 6.4658 (6)). Structure solution and refinement in space group Pnm21 were performed without difficulties. The compound turned out to be MA2Pb (SCN) 2I2 with a structure closely related to the