Revealing the Atomic-Scale Mechanism of Performance Enhancement in Organically Passivated Perovskite Light-Emitting Diodes

Thermally evaporated perovskite light-emitting diodes (PeLEDs) are attractive for scalable display manufacturing but remain limited by grain-boundary defects and residual strain. Here, we identify how a Lewis base passivator, PPF, reconstructs grain boundaries in evaporated CsPbBr 3 through coordination between P═O groups and undercoordinated Pb 2+ sites. PPF relaxes grain-boundary tensile strain from 3.25 to 0.18% and reshapes the local projected electric field, leading to reduced defect-assisted nonradiative recombination and improved carrier injection. As a result, the PeLEDs deliver an external quantum efficiency of 17.6% and a T 50 of 66.7 min at an initial luminance of 1000 cd m −2, compared with 8.8% and 16.2 min for control devices. These results establish a direct structure-field-performance correlation for vapor-deposited perovskites and provide guidance for evaporated perovskite optoelectronics.

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Publication Details

Journal
ACS Energy Letters
Published
2026-06-24
DOI
https://doi.org/10.1021/acsenergylett.6c01268
Primary Topic
Perovskite Materials and Applications
Type
article
Field-Weighted Citation Impact
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article

Revealing the Atomic-Scale Mechanism of Performance Enhancement in Organically Passivated Perovskite Light-Emitting Diodes

Jiang Tang, Jiajun Luo, Shuwen Yan, Jianfeng Ou et al.
ACS Energy Letters
Perovskite Materials and Applications
article

Revealing the Atomic-Scale Mechanism of Performance Enhancement in Organically Passivated Perovskite Light-Emitting Diodes

Jiang Tang, Jiajun Luo, Shuwen Yan, Jianfeng Ou, Jingshu Zhang, Zixi Shen, Yihua Gao, Zhe Wang, Shuangfeng Jia, Jianbo Wang, Li Li, Luying Li, Ziyang Huang, Lei Ma, Zunyu Liu
article en

Abstract

Thermally evaporated perovskite light-emitting diodes (PeLEDs) are attractive for scalable display manufacturing but remain limited by grain-boundary defects and residual strain. Here, we identify how a Lewis base passivator, PPF, reconstructs grain boundaries in evaporated CsPbBr 3 through coordination between P═O groups and undercoordinated Pb 2+ sites. PPF relaxes grain-boundary tensile strain from 3.25 to 0.18% and reshapes the local projected electric field, leading to reduced defect-assisted nonradiative recombination and improved carrier injection. As a result, the PeLEDs deliver an external quantum efficiency of 17.6% and a T 50 of 66.7 min at an initial luminance of 1000 cd m −2, compared with 8.8% and 16.2 min for control devices. These results establish a direct structure-field-performance correlation for vapor-deposited perovskites and provide guidance for evaporated perovskite optoelectronics.

ACS Energy Letters
Wuhan University (CN), Wuhan National Laboratory for Optoelectronics (CN), Austrian Centre for Electron Microscopy and Nanoanalysis (AT), Huazhong University of Science and Technology (CN)
National Natural Science Foundation of China, China Postdoctoral Science Foundation, National Key Research and Development Program of China
Openalex Percentile: Top 10%
Perovskite Materials and Applications
DOISourceOpenAlex
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