用漂移-扩散模型探讨接近超导太阳电池效率极限的方法
Exploring the Way to Approach the Efficiency Limit of Perovskite Solar Cells by Drift-Diffusion Model
摘要：
漂移扩散模型是理解载流子动力学（输运、复合和收集）和模拟太阳能电池（SC）实际效率的不可或缺的建模工具，它考虑了多层器件结构中存在的各种载流子复合损耗。探索通过使用漂移扩散模型来预测和接近SC效率极限的方法将使我们能够获得更多的物理见解和新兴光致发光器件，特别是钙钛矿太阳能电池的设计指南。我们的工作发现，两个程序是预测和接近供应链效率极限的先决条件。首先，在采用光学设计之后，需要校正本征辐射复合，这将显著地影响在其Shockley-Queisser极限处的开路电压。通过详细考虑半导体材料在热平衡时的发射和吸收平衡，以及非平衡时的玻尔兹曼统计，我们提供了一种不同的方法来推导具有光学修正的半导体材料的本征辐射复合的精确表达式。新的表达式同时考虑了吸收光子的光捕获和发射光子的角度限制，这在传统的Roosbroeck-Shockley表达式中是忽略的。其次，需要仔细设计电极的接触特性，以消除电极处的电荷积累和表面复合。另一个重要的先决条件是选择性接触或阻挡层结合的非选择性接触，抑制电极处的表面复合。通过这两个步骤，可以实现漂移扩散模型对钙钛矿太阳电池效率极限的精确预测和效率退化的精确评估。
英文摘要：
Drift-diffusion model is an indispensable modeling tool to understand the carrier dynamics (transport, recombination, and collection) and simulate practical-efficiency of solar cells (SCs) through taking into account various carrier recombination losses existing in multilayered device structures. Exploring the way to predict and approach the SC efficiency limit by using the drift-diffusion model will enable us to gain more physical insights and design guidelines for emerging photovoltaics, particularly perovskite solar cells. Our work finds out that two procedures are the prerequisites for predicting and approaching the SC efficiency limit. Firstly, the intrinsic radiative recombination needs to be corrected after adopting optical designs which will significantly affect the open-circuit voltage at its Shockley-Queisser limit. Through considering a detailed balance between emission and absorption of semiconductor materials at the thermal equilibrium, and the Boltzmann statistics at the non-equilibrium, we offer a different approach to derive the accurate expression of intrinsic radiative recombination with the optical corrections for semiconductor materials. The new expression captures light trapping of the absorbed photons and angular restriction of the emitted photons simultaneously, which are ignored in the traditional Roosbroeck-Shockley expression. Secondly, the contact characteristics of the electrodes need to be carefully engineered to eliminate the charge accumulation and surface recombination at the electrodes. The selective contact or blocking layer incorporated nonselective contact that inhibits the surface recombination at the electrode is another important prerequisite. With the two procedures, the accurate prediction of efficiency limit and precise evaluation of efficiency degradation for perovskite solar cells are attainable by the drift-diffusion model.
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