{"title":"高效稳定的碳基无空穴传输层 CsPbI2Br 太阳能电池的 \"一石换多鸟 \"添加剂策略","authors":"Wenxuan Li, Hongbo Tong, Yali Li, Xiaoyang Liu, Guodong Wan, XueYan Ma, Hai Liu, Zhe Gao, Yujun Fu, Deyan He, Zhenguo Li, Junshuai Li","doi":"10.1002/smll.202406784","DOIUrl":null,"url":null,"abstract":"During fabrication and operation of perovskite solar cells (PSCs), defects commonly arise within the crystals as well as at grain boundaries. However, conventional additive strategies typically only serve to mitigate the occurrence of a single defect and fail to significantly enhance device performance. Herein, carbon-based hole-transport-layer-free CsPbI<sub>2</sub>Br devices are focused on, one kind of important PSCs with more stable structure and an appropriate bandgap for a semitransparent solar cell or a top cell in a tandem configuration, and present a highly efficient one-stone-for-multiple-birds additive strategy based on lanthanide trifluoromethanesulfonates (Ln(OTF)<sub>3</sub>, Ln: neodymium (Nd), europium (Eu), dysprosium (Dy), thulium (Tm)). Density functional theory calculations reveal that the Ln<sup>3+</sup> ions with a smaller radius can elevate defect formation energy for Pb and I vacancies within the crystals, while the presence of OTF<sup>−</sup> can effectively passivating uncoordinated Pb<sup>2+</sup> at grain boundaries. In addition, Ln(OTF)<sub>3</sub> addition increases the grain size and meanwhile reduces the surface roughness of the CsPbI<sub>2</sub>Br layers. All these positive contributions lead to a significant enhancement in power conversion efficiency (PCE) to 15.13% which is among the top PCEs reported for the corresponding solar cells, from 11.80% of the pristine device without Tm(OTF)<sub>3</sub> addition, while notably boosting long-term stability and reducing current–voltage hysteresis.","PeriodicalId":228,"journal":{"name":"Small","volume":null,"pages":null},"PeriodicalIF":13.0000,"publicationDate":"2024-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"One-Stone-for-Multiple-Birds Additive Strategy for Highly Efficient and Stable Carbon-Based Hole-Transport-Layer-Free CsPbI2Br Solar Cells\",\"authors\":\"Wenxuan Li, Hongbo Tong, Yali Li, Xiaoyang Liu, Guodong Wan, XueYan Ma, Hai Liu, Zhe Gao, Yujun Fu, Deyan He, Zhenguo Li, Junshuai Li\",\"doi\":\"10.1002/smll.202406784\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"During fabrication and operation of perovskite solar cells (PSCs), defects commonly arise within the crystals as well as at grain boundaries. However, conventional additive strategies typically only serve to mitigate the occurrence of a single defect and fail to significantly enhance device performance. Herein, carbon-based hole-transport-layer-free CsPbI<sub>2</sub>Br devices are focused on, one kind of important PSCs with more stable structure and an appropriate bandgap for a semitransparent solar cell or a top cell in a tandem configuration, and present a highly efficient one-stone-for-multiple-birds additive strategy based on lanthanide trifluoromethanesulfonates (Ln(OTF)<sub>3</sub>, Ln: neodymium (Nd), europium (Eu), dysprosium (Dy), thulium (Tm)). Density functional theory calculations reveal that the Ln<sup>3+</sup> ions with a smaller radius can elevate defect formation energy for Pb and I vacancies within the crystals, while the presence of OTF<sup>−</sup> can effectively passivating uncoordinated Pb<sup>2+</sup> at grain boundaries. In addition, Ln(OTF)<sub>3</sub> addition increases the grain size and meanwhile reduces the surface roughness of the CsPbI<sub>2</sub>Br layers. All these positive contributions lead to a significant enhancement in power conversion efficiency (PCE) to 15.13% which is among the top PCEs reported for the corresponding solar cells, from 11.80% of the pristine device without Tm(OTF)<sub>3</sub> addition, while notably boosting long-term stability and reducing current–voltage hysteresis.\",\"PeriodicalId\":228,\"journal\":{\"name\":\"Small\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":13.0000,\"publicationDate\":\"2024-10-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Small\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1002/smll.202406784\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Small","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1002/smll.202406784","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
One-Stone-for-Multiple-Birds Additive Strategy for Highly Efficient and Stable Carbon-Based Hole-Transport-Layer-Free CsPbI2Br Solar Cells
During fabrication and operation of perovskite solar cells (PSCs), defects commonly arise within the crystals as well as at grain boundaries. However, conventional additive strategies typically only serve to mitigate the occurrence of a single defect and fail to significantly enhance device performance. Herein, carbon-based hole-transport-layer-free CsPbI2Br devices are focused on, one kind of important PSCs with more stable structure and an appropriate bandgap for a semitransparent solar cell or a top cell in a tandem configuration, and present a highly efficient one-stone-for-multiple-birds additive strategy based on lanthanide trifluoromethanesulfonates (Ln(OTF)3, Ln: neodymium (Nd), europium (Eu), dysprosium (Dy), thulium (Tm)). Density functional theory calculations reveal that the Ln3+ ions with a smaller radius can elevate defect formation energy for Pb and I vacancies within the crystals, while the presence of OTF− can effectively passivating uncoordinated Pb2+ at grain boundaries. In addition, Ln(OTF)3 addition increases the grain size and meanwhile reduces the surface roughness of the CsPbI2Br layers. All these positive contributions lead to a significant enhancement in power conversion efficiency (PCE) to 15.13% which is among the top PCEs reported for the corresponding solar cells, from 11.80% of the pristine device without Tm(OTF)3 addition, while notably boosting long-term stability and reducing current–voltage hysteresis.
期刊介绍:
Small serves as an exceptional platform for both experimental and theoretical studies in fundamental and applied interdisciplinary research at the nano- and microscale. The journal offers a compelling mix of peer-reviewed Research Articles, Reviews, Perspectives, and Comments.
With a remarkable 2022 Journal Impact Factor of 13.3 (Journal Citation Reports from Clarivate Analytics, 2023), Small remains among the top multidisciplinary journals, covering a wide range of topics at the interface of materials science, chemistry, physics, engineering, medicine, and biology.
Small's readership includes biochemists, biologists, biomedical scientists, chemists, engineers, information technologists, materials scientists, physicists, and theoreticians alike.