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dc.contributor.authorNiu, Tianqi
dc.contributor.authorXie, Yue‐Min
dc.contributor.authorXue, Qifan
dc.contributor.authorXun, Sangni
dc.contributor.authorYao, Qin
dc.contributor.authorZhen, Fuchao
dc.contributor.authorYan, Wenbo
dc.contributor.authorLi, Hong
dc.contributor.authorBrédas, Jean‐Luc
dc.contributor.authorYip, Hin‐Lap
dc.contributor.authorCao, Yong
dc.date.accessioned2021-11-23T20:59:45Z
dc.date.available2021-11-23T20:59:45Z
dc.date.issued2021-10-31
dc.identifier.citationNiu, T., Xie, Y.-M., Xue, Q., Xun, S., Yao, Q., Zhen, F., Yan, W., Li, H., Brédas, J.-L., Yip, H.-L., & Cao, Y. (2021). Spacer Engineering of Diammonium-Based 2D Perovskites toward Efficient and Stable 2D/3D Heterostructure Perovskite Solar Cells. Advanced Energy Materials.en_US
dc.identifier.issn1614-6832
dc.identifier.doi10.1002/aenm.202102973
dc.identifier.urihttp://hdl.handle.net/10150/662359
dc.description.abstractPerovskite solar cells (PSCs) based on 2D/3D heterostructures show great potential to combine the advantages of the high efficiency of 3D perovskites and the high stability of 2D perovskites. However, an in-depth understanding of the organic-spacer effects on the 2D quantum well (QW) structures and electronic properties at the 2D/3D interfaces is yet to be fully achieved, especially in the case of 2D perovskites based on diammonium spacers/ligands. Here, a series of diammonium spacers is considered for the construct ion 2D/3D perovskite heterostructures. It is found that the chemical structure and concentration of the spacers can dramatically affect the characteristics of the 2D capping layers, including their phase purity and orientation. Density functional theory calculations indicate that the spacer modifications can induce shifts in the energy-level alignments at the 2D/3D interfaces and therefore influence the charge-transfer characteristics. The strong intermolecular interactions between the 2,2-(ethylenedioxy)bis(ethylammonium) (EDBE) cations and inorganic [PbI6]4− slabs facilitate a controlled deposition of a phase-pure QW structure (n = 1) with a horizontal orientation, which leads to better surface passivation and carrier extraction. These benefits endow the EDBE-based 2D/3D devices with a high power conversion efficiency of 22.6% and remarkable environmental stability, highlighting the promise of spacer-chemistry design for high-performance 2D/3D PSCs.en_US
dc.description.sponsorshipNational Natural Science Foundation of Chinaen_US
dc.language.isoenen_US
dc.publisherWileyen_US
dc.rightsCopyright © 2021 Wiley-VCH GmbHen_US
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en_US
dc.subject2D/3D heterostructureen_US
dc.subjecthigh-performanceen_US
dc.subjectperovskite solar cellsen_US
dc.subjectspacer engineeringen_US
dc.titleSpacer Engineering of Diammonium‐Based 2D Perovskites toward Efficient and Stable 2D/3D Heterostructure Perovskite Solar Cellsen_US
dc.typeArticleen_US
dc.identifier.eissn1614-6840
dc.contributor.departmentDepartment of Chemistry and Biochemistry, The University of Arizonaen_US
dc.identifier.journalAdvanced Energy Materialsen_US
dc.description.note12 month embargo; first published: 31 October 2021en_US
dc.description.collectioninformationThis item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at repository@u.library.arizona.edu.en_US
dc.eprint.versionFinal accepted manuscripten_US
dc.identifier.pii10.1002/aenm.202102973
dc.source.journaltitleAdvanced Energy Materials
dc.source.beginpage2102973


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