Detrimental defects on perovskite grain boundaries (GBs) are critical factors that lead to non-radiative recombination and hysteresis. In this work, triazine-graph-diyne (Tra-GD), a nitrogen-rich two-dimensional (2D) material, was incorporated into the active layer of perovskite to modify the GBs. Tra-GD was found to distribute evenly over the bulk of the perovskite and has a strong interaction with the Pb²⁺ exposed at GBs, which enables it to effectively passivate GB defects and prevent ion migration. The results of Kelvin probe force microscopy and photoluminescence studies proved that the highly conjugated Tra-GD located at GBs could promote charge extraction and transport. Benefiting from defect passivation and more efficient carrier transport, the Tra-GD based device showed less non-radiative recombination loss. Consequently, the resultant device presented negligible hysteresis and yielded a high power conversion efficiency (PCE) of 20.33% in the MAPbI₃-based perovskite solar cell. This approach was extended to the FAPbI₃ system with a PCE of 21.16%. Our Tra-GD passivation strategy provides a useful approach to effectively improving the device performance and addressing hysteresis issues.

钙钛矿晶界（GBs）上的有害缺陷是导致非辐射复合和滞后的关键因素。在这项工作中，将一种富含氮的二维（2D）材料三嗪-图-二炔（Tra-GD）掺入钙钛矿的活性层中，以修饰GBs。发现Tra-GD分布在钙钛矿的大部分区域中，并且与Pb ²⁺具有很强的相互作用在GBs处暴露，使其能够有效钝化GB缺陷并防止离子迁移。开尔文探针力显微镜和光致发光研究的结果证明，位于GBs处的高度共轭的Tra-GD可以促进电荷的提取和运输。受益于缺陷钝化和更有效的载流子传输，基于Tra-GD的器件显示出更少的非辐射重组损失。因此，在基于MAPbI ₃的钙钛矿太阳能电池中，所得器件呈现出可忽略的滞后，并且产生了20.33％的高功率转换效率（PCE）。该方法已扩展到FAPbI ₃PCE为21.16％的系统。我们的Tra-GD钝化策略提供了一种有用的方法，可以有效地改善设备性能并解决磁滞问题。