钙钛矿太阳能电池中的NiOx钝化：从表面反应性到器件性能
NiOx passivation in perovskite solar cells: from surface reactivity to device performance
AI总结：
本研究通过三类化合物钝化NiOx缺陷，结合XPS、XRD、SEM和DFT计算揭示了NiOx-钙钛矿界面降解机制，并发现界面钝化提升结构稳定性但过量离子形成会降低器件运行稳定性。
摘要：
非化学计量氧化镍（NiOx）是唯一成功用作p-i-n型钙钛矿太阳能电池（PSCs）空穴传输材料的金属氧化物。其优异的光电特性和易于大规模制备的方法对PSCs的未来商业化具有潜在意义，尽管目前已有报道表明含NiOx空穴传输层的PSCs运行稳定性较低。对钙钛矿界面处降解反应的理解不足被认为是稳定性较差的原因，并且已有多种界面钝化方法被证明能有效提升太阳能电池的整体性能。为了更好地理解该界面发生的过程，我们用三类不同的有机/无机化合物系统性地钝化了NiOx上可能的特定缺陷。利用X射线光电子能谱（XPS）、X射线衍射（XRD）和扫描电子显微镜（SEM）研究了其对NiOx和钙钛矿（MAPbI3）的影响，发现结构稳定性和薄膜形成会受到显著影响。结合密度泛函理论（DFT）计算，提出了NiOx-钙钛矿降解相互作用的一个可能起源。将表面钝化的NiOx结合到基于MAPbI3的PSCs中，并通过电流-电压（J-V）、阻抗谱（IS）和开路电压衰减（OCVD）测量研究了其对整体性能，特别是运行稳定性的影响。有趣的是，我们发现由界面钝化带来的优异结构稳定性并不必然与高运行稳定性相关。这种差异源于界面处过量离子的形成，这会对所有太阳能电池参数产生负面影响。
英文摘要：
Non-stoichiometric nickel oxide (NiOx) is the only metal oxide successfully used as hole transport material in p-i-n type perovskite solar cells (PSCs). Its favorable opto-electronic properties and facile large-scale preparation methods are potentially relevant for future commercialization of PSCs, though currently low operational stability of PSCs containing NiOx hole transport layers are reported. Poorly understood degradation reactions at the interface to the perovskite are seen as cause for the inferior stability and a variety of interface passivation approaches have been shown to be effective in improving the overall solar cell performance. To gain a better understanding of the processes happening at this interface, we systematically passivated possible specific defects on NiOx with three different categories of organic/inorganic compounds. The effects on the NiOx and the perovskite (MAPbI3) were investigated using x-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and scanning electron microscopy (SEM) where we find that the structural stability and film formation can be significantly affected. In combination with Density Functional Theory (DFT) calculations, a likely origin of NiOx-perovskite degradation interactions is proposed. The surface passivated NiOx was incorporated into MAPbI3 based PSCs and its influence on overall performance, particularly operational stability, was investigated by current-voltage (J-V), impedance spectroscopy (IS), and open circuit voltage decay (OCVD) measurements. Interestingly, we find that a superior structural stability due to an interface passivation must not relate to high operational stability. The discrepancy comes from the formation of excess ions at the interface which negatively impacts all solar cell parameters.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
