Abstract. Perovskite-based solar cells (PSCs) have opened the possibility of cost-effective, high-efficiency photovoltaic conversion. However, their instabilities prevent them from commercialization. One of the instability triggers has been attributed to the mobile ions flowing into the carrier transport layer(s). To study the effect of this ionic migration, a numerical PSC model is developed, considering electronic and ionic mixed drift-diffusion transport both in the perovskite and the hole transport layer. The inverted PSC architecture, phenyl-C61-butyric acid methyl ester (PCBM)/perovskite/poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS) with two heterojunctions, is analyzed. The effect of the ionic migration on the performance of the PSCs has been analyzed by (1) the variation of the ionic mobile concentration and (2) the modification of the local trapping density. The current–voltage (J–V) and capacitance–voltage characteristics show that the electric field in the bulk can be screened by the ionic distribution modifying the effective built-in voltage. At high ionic concentrations, the electric field at the interfaces is also affected, hindering the charge extraction. The simulations show that the short circuit current is therefore strongly modified.

中文翻译：

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钙钛矿和空穴传输层中离子迁移对倒置钙钛矿太阳能电池效率的不利影响

摘要。基于钙钛矿的太阳能电池 (PSC) 开启了经济高效的光伏转换的可能性。然而，它们的不稳定性阻碍了它们的商业化。不稳定的触发因素之一归因于流动离子流入载流子传输层。为了研究这种离子迁移的影响，开发了一个数值 PSC 模型，考虑了钙钛矿和空穴传输层中的电子和离子混合漂移扩散传输。分析了具有两个异质结的倒置 PSC 结构，苯基-C61-丁酸甲酯（PCBM）/钙钛矿/聚（3,4-亚乙基二氧噻吩）聚苯乙烯磺酸盐（PEDOT：PSS）。离子迁移对 PSC 性能的影响已通过 (1) 离子移动浓度的变化和 (2) 局部捕获密度的修改进行分析。电流-电压 (J-V) 和电容-电压特性表明，可以通过改变有效内置电压的离子分布来屏蔽体中的电场。在高离子浓度下，界面处的电场也会受到影响，阻碍电荷提取。模拟表明，短路电流因此被强烈修改。界面处的电场也受到影响，阻碍了电荷提取。模拟表明，短路电流因此被强烈修改。界面处的电场也受到影响，阻碍了电荷提取。模拟表明，短路电流因此被强烈修改。