Qingbo Wei , Yixuan Gao , Nannan Wang , Yingjia Zhuansun , Jiating Wang , Decai Zhu , Yao Huang , Qingxia Zhao , Lingxing Zan , Dong Yang
{"title":"Enhanced performance of carbon-based perovskite solar cells driven by N, N′-bis-(3-(3,5-di-tert-butyl-4 hydroxyphenyl) propionyl) hexanediamine","authors":"Qingbo Wei , Yixuan Gao , Nannan Wang , Yingjia Zhuansun , Jiating Wang , Decai Zhu , Yao Huang , Qingxia Zhao , Lingxing Zan , Dong Yang","doi":"10.1016/j.solmat.2024.113005","DOIUrl":null,"url":null,"abstract":"<div><p>Chemical passivation is crucial to improving the stability and power conversion efficiency (PCE) of the perovskite solar cells (PSCs). In this section we use density functional theory to investigate the major defects of uncoordinated I<sup>−</sup> and Pb<sup>2+</sup> on the perovskite film surface. Meanwhile, an antioxidant material, <em>N, N′</em>-bis-(3-(3,5-di-tert-butyl-4 hydroxyphenyl) propionyl) hexanediamine (antioxidant 1098), is intended to passivate defects in perovskite films. Theoretical studies indicate that the antioxidant 1098 bound to I<sup>−</sup> and Pb<sup>2+</sup> on the perovskite film surface through Lewis base-acid interactions, which is enhanced by additional hydrogen bonds (H bonds) due to the antioxidant 1098. On the other hand, the passivation effect leads to a notable reduction in trap density and an extended charge lifetime on the perovskite films' surface. The main function of antioxidant 1098 is that the N atom provides lone electron pairs to combine with Pb atom, forming coordination bonds to improve the coordination ability of Pb<sup>2+</sup>, and reduce the defects of perovskite films. More importantly, the antioxidant 1098 can inhibit the oxidation reaction of perovskite and effectively improve the stability of perovskite devices. Lastly, the PCE of the champion device reaches 17.03 %, and the device that is not enclosed could maintain 96 % of its original efficiency after 1200 h under atmosphere conditions (RH = 30–40 %). This study offers a method for developing the air-processed stable carbon-based perovskite solar cells (C–PSCs) by chemical passivation.</p></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":null,"pages":null},"PeriodicalIF":6.3000,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Solar Energy Materials and Solar Cells","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0927024824003179","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENERGY & FUELS","Score":null,"Total":0}
引用次数: 0
Abstract
Chemical passivation is crucial to improving the stability and power conversion efficiency (PCE) of the perovskite solar cells (PSCs). In this section we use density functional theory to investigate the major defects of uncoordinated I− and Pb2+ on the perovskite film surface. Meanwhile, an antioxidant material, N, N′-bis-(3-(3,5-di-tert-butyl-4 hydroxyphenyl) propionyl) hexanediamine (antioxidant 1098), is intended to passivate defects in perovskite films. Theoretical studies indicate that the antioxidant 1098 bound to I− and Pb2+ on the perovskite film surface through Lewis base-acid interactions, which is enhanced by additional hydrogen bonds (H bonds) due to the antioxidant 1098. On the other hand, the passivation effect leads to a notable reduction in trap density and an extended charge lifetime on the perovskite films' surface. The main function of antioxidant 1098 is that the N atom provides lone electron pairs to combine with Pb atom, forming coordination bonds to improve the coordination ability of Pb2+, and reduce the defects of perovskite films. More importantly, the antioxidant 1098 can inhibit the oxidation reaction of perovskite and effectively improve the stability of perovskite devices. Lastly, the PCE of the champion device reaches 17.03 %, and the device that is not enclosed could maintain 96 % of its original efficiency after 1200 h under atmosphere conditions (RH = 30–40 %). This study offers a method for developing the air-processed stable carbon-based perovskite solar cells (C–PSCs) by chemical passivation.
期刊介绍:
Solar Energy Materials & Solar Cells is intended as a vehicle for the dissemination of research results on materials science and technology related to photovoltaic, photothermal and photoelectrochemical solar energy conversion. Materials science is taken in the broadest possible sense and encompasses physics, chemistry, optics, materials fabrication and analysis for all types of materials.