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New Carbon Nitride C3N3 Additive for Improving Cationic Defects of Perovskite Solar Cells
Energy & Environmental Materials ( IF 13.0 ) Pub Date : 2021-09-25 , DOI: 10.1002/eem2.12283 Zuhong Li 1 , Jiaxin Feng 2 , Jinguo Cao 1 , Jiaren Jin 1 , Yijun Zhou 1 , Duoling Cao 1 , Zihui Liang 1 , Bicheng Zhu 3 , Ming Li 2 , Li Zhao 1 , Shimin Wang 1
Energy & Environmental Materials ( IF 13.0 ) Pub Date : 2021-09-25 , DOI: 10.1002/eem2.12283 Zuhong Li 1 , Jiaxin Feng 2 , Jinguo Cao 1 , Jiaren Jin 1 , Yijun Zhou 1 , Duoling Cao 1 , Zihui Liang 1 , Bicheng Zhu 3 , Ming Li 2 , Li Zhao 1 , Shimin Wang 1
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Due to the loss of organic amine cations and lead ions in the structure of the iodine–lead methylamine perovskite solar cell, there are a large number of defects within the film and the recombination loss caused by grain boundaries, which seriously hinder the further improvement of power conversion efficiency and stability. Herein, a novel carbon nitride C3N3 incorporated into the perovskite precursor solution is a multifunctional strategy, which not only increases the light absorption strength, grain size, and hydrophobicity of the perovskite film, but also effectively passivates the bulk and interfacial defects of perovskite and verified by the first-principles density functional theory calculations. As a result, the efficiency and stability of perovskite solar cells are improved. The device with 0.075 mg mL−1 C3N3 additive delivers a champion power conversion efficiency of 19.91% with suppressed hysteresis, which is significantly higher than the 18.16% of the control device. In addition, the open-circuit voltage of the modified device with the maximum addition as high as 1.137 V is 90.96% of the Shockley–Queisser limit (1.25 V). Moreover, the power conversion efficiency of the modified device without encapsulation can maintain nearly 90% of its initial value after being stored at 25 °C and 60% relative humidity for 500 h. This work provides a new idea for developing additives to improve the power conversion efficiency and stability of perovskite solar cells.
中文翻译：
改善钙钛矿太阳能电池阳离子缺陷的新型氮化碳C3N3添加剂
由于碘铅甲胺钙钛矿太阳能电池结构中有机胺阳离子和铅离子的损失，膜内存在大量缺陷和晶界引起的复合损失，严重阻碍了进一步提高电源转换效率和稳定性。在此，一种新型氮化碳 C 3 N 3钙钛矿前体溶液中加入了一种多功能策略，不仅增加了钙钛矿薄膜的光吸收强度、晶粒尺寸和疏水性，而且有效地钝化了钙钛矿的体积和界面缺陷，并通过第一性原理密度泛函验证理论计算。结果，提高了钙钛矿太阳能电池的效率和稳定性。该装置具有 0.075 mg mL −1 C 3 N 3添加剂提供了 19.91% 的冠军功率转换效率，并抑制了滞后现象，这明显高于控制装置的 18.16%。此外，最大添加量高达 1.137 V 的修改后器件的开路电压是 Shockley-Queisser 极限（1.25 V）的 90.96%。此外，未经封装的改进型器件在 25 °C 和 60% 相对湿度下储存 500 小时后，其功率转换效率可保持其初始值的近 90%。该工作为开发添加剂以提高钙钛矿太阳能电池的功率转换效率和稳定性提供了新思路。
更新日期：2021-09-25
中文翻译：
改善钙钛矿太阳能电池阳离子缺陷的新型氮化碳C3N3添加剂
由于碘铅甲胺钙钛矿太阳能电池结构中有机胺阳离子和铅离子的损失，膜内存在大量缺陷和晶界引起的复合损失，严重阻碍了进一步提高电源转换效率和稳定性。在此，一种新型氮化碳 C 3 N 3钙钛矿前体溶液中加入了一种多功能策略，不仅增加了钙钛矿薄膜的光吸收强度、晶粒尺寸和疏水性，而且有效地钝化了钙钛矿的体积和界面缺陷，并通过第一性原理密度泛函验证理论计算。结果，提高了钙钛矿太阳能电池的效率和稳定性。该装置具有 0.075 mg mL −1 C 3 N 3添加剂提供了 19.91% 的冠军功率转换效率，并抑制了滞后现象，这明显高于控制装置的 18.16%。此外，最大添加量高达 1.137 V 的修改后器件的开路电压是 Shockley-Queisser 极限（1.25 V）的 90.96%。此外，未经封装的改进型器件在 25 °C 和 60% 相对湿度下储存 500 小时后，其功率转换效率可保持其初始值的近 90%。该工作为开发添加剂以提高钙钛矿太阳能电池的功率转换效率和稳定性提供了新思路。
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