Computation-assisted design of stable quasi-2D organic sulfate perovskite NIR light-emitting diodes
  • Jana, Atanu
  • Sree, Vijaya Gopalan
  • Ba, Qiankai
  • Lee, Chi Ho
  • Das, Deblina
  • 외 4명
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초록

Quasi-two-dimensional (2D) perovskite light-emitting diodes (PeLEDs) exhibit high red-emission efficiency but poor stability due to defect-mediated recombination and ion migration in hybrid perovskite nanocrystals (NCs). Here, we present a solvent-free mechanochemical synthesis of red-emitting quasi-2D (OA)<inf>2</inf>(MA)<inf>2</inf>Pb<inf>2</inf>I<inf>8</inf>(PbSO<inf>4</inf>) NCs using dioctylammonium sulfate (DOS), guided by first-principles calculations. The DOS ligand promotes PbSO<inf>4</inf> layer formation, which passivates defects, suppresses ion migration, and enhances humidity resistance. Unlike iodide-based octylammonium iodide (OAI) devices that degrade rapidly and emit only at 763 nm, DOS-stabilized PeLEDs show dual emission at 651 and 763 nm, indicating improved phase stability. The devices achieve a peak luminance of 7,039 cd/cm2 and an external quantum efficiency of 9.76%, retaining over 60% of initial EQE after 100 days, markedly outperforming conventional OAI-MAPbI<inf>3</inf> PeLEDs (<20%). These results demonstrate that sulfate passivation provides a simple and scalable route to robust, durable red-emitting quasi-2D PeLEDs, offering a promising strategy for high-performance optoelectronic devices. © 2025 The Author(s).

키워드

defect passivationdensity functional theoryion migrationorganic-inorganic hybrid perovskitequasi-2D red light-emitting perovskitered light-emitting diodessolid-state synthesissulfate ion passivationHALIDE PEROVSKITESLEAD IODIDENANOCRYSTALSMIGRATIONCSPBX3PHASEBR
제목
Computation-assisted design of stable quasi-2D organic sulfate perovskite NIR light-emitting diodes
저자
Jana, AtanuSree, Vijaya GopalanBa, QiankaiLee, Chi HoDas, DeblinaMeena, AbhishekMal, SouravLee, Sang UckCho, Sangeun
DOI
10.1016/j.xcrp.2025.102907
발행일
2025-11
유형
Article
저널명
Cell Reports Physical Science
6
11