新加坡国立大学Yi Hou团队报道了在高效钙钛矿太阳能电池中实现纯二维相钝化的配体介导表面反应。相关研究成果于2024年12月19日发表在国际顶尖学术期刊《美国化学会杂志》。

2D/3D堆叠异质结构的表面钝化已被广泛用于提高n-i-p钙钛矿太阳能电池（PSCs）的效率。然而，二维钙钛矿的无序量子阱宽度分布导致了能量分布的不均匀性和晶体的不稳定性，这限制了n-i-p PSCs的进一步发展。

该文中，研究人员开发了一种通用的方法，配体介导的表面钝化，通过双配体共沉积产生具有均匀能量景观的相纯2D钙钛矿钝化层。3,6-二甲基咔唑-9-乙基碘化铵的大分子尺寸和较低的吸附能的优先吸附可以调节间氟苯乙基碘化铵与钙钛矿表面之间的表面反应，从而形成具有窄量子阱分布和均匀表面电势分布的二维钙钛矿。

除此之外，表面限制的2D钝化层的保留，在钙钛矿和空穴传输层的界面处保持了更高的电场。因此，最优器件在0.05 cm²器件和1 cm²器件上的效率分别为25.86%和25.08%，具有增强的操作稳定性（T₉₀>1000小时）和更好的热稳定性。

该工作为PSCs的高效稳定2D钝化提供了更深入的见解。

附：英文原文

Title: Ligand-Mediated Surface Reaction for Achieving Pure 2D Phase Passivation in High-Efficiency Perovskite Solar Cells

Author: Zhuojie Shi, Shunchang Liu, Ran Luo, Jianpeng Ma, Hao Tian, Xi Wang, Zijing Dong, Xiao Guo, Jinxi Chen, Jiangang Feng, Chuanxiao Xiao, Yuchen Wu, Wenping Hu, Yi Hou

Issue&Volume: December 19, 2024

Abstract: The surface passivation with the heterostructure of the 2D/3D stack has been widely used for boosting the efficiency of n-i-p perovskite solar cells (PSCs). However, the disordered quantum well width distribution of 2D perovskites leads to energy landscape inhomogeneity and crystalline instability, which limits the further development of n-i-p PSCs. Here, a versatile approach, ligand-mediated surface passivation, was developed to produce a phase-pure 2D perovskite passivation layer with a homogeneous energy landscape by dual-ligand codeposition. The preferential adsorption of 3,6-dimethyl-carbazole-9-ethylammonium iodide with a large molecular size and lower adsorption energy could regulate the surface reaction between the m-fluorophenylethylammonium iodide and perovskite surface, resulting in a 2D perovskite with a narrow quantum well distribution and a uniform surface potential distribution. Beyond this, the preservation of the surface-confined 2D passivation layer retained a higher electric field at the interface of perovskite and the hole transport layer. As a result, the champion device reached an efficiency of 25.86% for the 0.05 cm2 device and 25.08% for the 1 cm2 device, with enhanced operational stability (T90 > 1000 h) and much better thermal stability. Our work provides deeper insights into efficient and stable 2D passivation for PSCs.

DOI: 10.1021/jacs.4c14473

Source: https://pubs.acs.org/doi/abs/10.1021/jacs.4c14473