{"title":"Grain boundary defect passivation and iodine migration inhibition for efficient and stable perovskite solar cells","authors":"","doi":"10.1016/j.electacta.2024.145129","DOIUrl":null,"url":null,"abstract":"<div><div>To inhibit the <em>I</em><sup>−</sup>migration and passivate the uncoordinated Pb<sup>2+</sup> on perovskite grain boundary (GB), 3-methyl-(1,1′-biphenyl)-4,4′-diformaldehyde (BPDA-Me) and 3-chlorine-(1,1′-biphenyl)-4,4′-diformaldehyde (BPDA-Cl) were synthesized and incorporated into perovskite films, respectively. The C = O groups in both additives can strongly interact with the uncoordinated Pb<sup>2+</sup>, allowing them to be anchored in perovskite GB. At the same time, the benzene ring skeleton in these two molecular structures can interact with the migrating <em>I</em><sup>−</sup> in GB. The Cl atom in the BPDA-Cl molecule delocalize electrons into the C = O group due to the conjugation effect of the benzene ring, so that the C = O group can provide stronger electronegativity, thus enhancing the interaction with the uncoordinated Pb<sup>2+</sup>. Meanwhile, Cl atom can coordinate with Pb<sup>2+</sup> to synergically passivate the I vacancy defect on GB and enhance the lattice strength of PbI<sub>6</sub>. This cooperative passivation further effectively inhibited the <em>I</em><sup>−</sup>migration occurring at the perovskite GB. The functional group electron density regulation and cooperative passivation of Cl and C = O in BPDA-Cl make the passivation effect better than BPDA-Me. Consequently, the BPDA-Cl based perovskite solar cell achieved the highest power conversion efficiency of 24.96 % and stability with 92.1 % of the initial performance retained after 500 h of operation under continuous lighting and maximum power point tracking conditions.</div></div>","PeriodicalId":305,"journal":{"name":"Electrochimica Acta","volume":null,"pages":null},"PeriodicalIF":5.5000,"publicationDate":"2024-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Electrochimica Acta","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0013468624013665","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ELECTROCHEMISTRY","Score":null,"Total":0}
引用次数: 0
Abstract
To inhibit the I−migration and passivate the uncoordinated Pb2+ on perovskite grain boundary (GB), 3-methyl-(1,1′-biphenyl)-4,4′-diformaldehyde (BPDA-Me) and 3-chlorine-(1,1′-biphenyl)-4,4′-diformaldehyde (BPDA-Cl) were synthesized and incorporated into perovskite films, respectively. The C = O groups in both additives can strongly interact with the uncoordinated Pb2+, allowing them to be anchored in perovskite GB. At the same time, the benzene ring skeleton in these two molecular structures can interact with the migrating I− in GB. The Cl atom in the BPDA-Cl molecule delocalize electrons into the C = O group due to the conjugation effect of the benzene ring, so that the C = O group can provide stronger electronegativity, thus enhancing the interaction with the uncoordinated Pb2+. Meanwhile, Cl atom can coordinate with Pb2+ to synergically passivate the I vacancy defect on GB and enhance the lattice strength of PbI6. This cooperative passivation further effectively inhibited the I−migration occurring at the perovskite GB. The functional group electron density regulation and cooperative passivation of Cl and C = O in BPDA-Cl make the passivation effect better than BPDA-Me. Consequently, the BPDA-Cl based perovskite solar cell achieved the highest power conversion efficiency of 24.96 % and stability with 92.1 % of the initial performance retained after 500 h of operation under continuous lighting and maximum power point tracking conditions.
期刊介绍:
Electrochimica Acta is an international journal. It is intended for the publication of both original work and reviews in the field of electrochemistry. Electrochemistry should be interpreted to mean any of the research fields covered by the Divisions of the International Society of Electrochemistry listed below, as well as emerging scientific domains covered by ISE New Topics Committee.