In this work we have successfully prepared two lead-doped titanium-oxo clusters with core structures that resemble isolated perovskite PbTiO3 species. In the obtained highly symmetric Pb8 Ti7 -oxo cluster, the central TiO6 octahedra are orthogonally extended to adjacent octahedra through corner-sharing and the eight dopant lead ions form a cubic arrangement, making it the first molecular model of perovskite PbTiO3 . Moreover, the clusters readily dissolved in chloroform and showed high solution stability, as confirmed by MALDI-TOF MS measurements. Based on such solution processability, they can be easily spin-coated to form homogeneous films, which were employed as electron-transport materials in perovskite solar cells to give an average power conversion efficiency of around 15 % and improved device stability. This newly developed bottom-up cluster assembly method provides an efficient approach to the construction of atomically precise models of perovskite metal oxides as well as potential molecular tools to extend their applications.

中文翻译：

---

铅掺杂的钛-氧簇作为钙钛矿型PbTiO3和电子传输材料在太阳能电池中的分子模型。

在这项工作中，我们已经成功地制备了两个铅掺杂的钛-氧簇，其团簇结构类似于孤立的钙钛矿PbTiO3物种。在获得的高度对称的Pb8 Ti7-氧杂簇中，中心TiO6八面体通过角共享垂直延伸到相邻的八面体，并且八个掺杂剂铅离子形成立方排列，使其成为钙钛矿PbTiO3的第一个分子模型。此外，通过MALDI-TOF MS测量证实，这些簇易于溶于氯仿中并显示出高溶液稳定性。基于这种溶液的可加工性，可以轻松地对其进行旋涂以形成均匀的膜，然后将该膜用作钙钛矿太阳能电池中的电子传输材料，以提供约15％的平均功率转换效率并提高器件的稳定性。