We propose two approaches to compute the band diagram of highly efficient perovskite solar cells, both based on the migration of a single-mobile ion (halide vacancies). The first is a full analytical approach to quickly calculate the main features of the perovskite band diagram and easily extract the mobile vacancy concentration from experimental data. The second approach is an online-open-access platform that can be used by anyone to accurately simulate their own band diagram. We combine the first approach with current transient measurements to extract the mobile ion concentration for six different perovskite compositions—including perovskite solar cells with power conversion efficiencies exceeding 19%. For the devices measured herein, we obtain ion concentrations in the range 7 × 10¹⁶−5 × 10¹⁷cm⁻³. We use the second approach to quantitatively discuss the implications of the mobile ion concentrations we measured in terms of device performance and stability.

我们提出两种方法来计算高效钙钛矿太阳能电池的能带图，这两种方法都是基于单移动离子的迁移（卤化物空位）。第一种是一种完整的分析方法，可以快速计算钙钛矿带图的主要特征，并轻松地从实验数据中提取出移动空位浓度。第二种方法是一个在线开放访问平台，任何人都可以使用该平台来准确地模拟他们自己的能带图。我们将第一种方法与当前的瞬态测量相结合，以提取六种不同钙钛矿成分的移动离子浓度，包括功率转换效率超过19％的钙钛矿太阳能电池。对于此处测量的设备，我们获得的离子浓度范围为7×10 ¹⁶ -5×10 ¹⁷厘米^-3。我们使用第二种方法来定量讨论根据设备性能和稳定性测量的移动离子浓度的含义。