合理设计间隔阳离子，实现高效稳定的二维/三维异质结构过氧化物太阳能电池

IF 2.8 3区化学 Q3 CHEMISTRY, PHYSICAL Chemical Physics Letters Pub Date : 2024-11-12 DOI:10.1016/j.cplett.2024.141734

C. Deger

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引用次数: 0

摘要

集成二维和三维包晶材料可以提高包晶太阳能电池的稳定性和效率。本研究探讨了用甲脒阳离子（FA）、胍阳离子（GA）和亚甲基二铵阳离子（MDA）修饰常见有机间隔物--2AI、PEA 和 FPEA 对 FAPbI3 包晶材料中二维和三维层界面的影响。结构分析、静电绘图和能量计算显示，GA 修饰加强了结合，但破坏了堆叠的稳定性，而 MDA 修饰则提高了稳定性和电荷转移。这些发现为优化有机间隔物改性以提高 2D/3D 包晶太阳能电池性能提供了宝贵的见解。

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Rational design of spacer cations toward efficient and stable 2D/3D heterostructure perovskite solar cells

The integration of 2D and 3D perovskite materials can enhance the stability and efficiency of perovskite solar cells. This study examines the impact of modifying common organic spacers—2AI, PEA, and FPEA—with formamidinium (FA), guanidinium (GA), and methylenediammonium (MDA) cations on the interface between 2D and 3D layers in FAPbI

_{3}

perovskite materials. Structural analysis, electrostatic mapping, and energy calculations reveal that GA modification strengthens binding but destabilizes stacking, while MDA modification improves stability and charge transfer. These findings offer valuable insights into optimizing organic spacer modifications for 2D/3D perovskite solar cell performance.

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来源期刊

Chemical Physics Letters 化学-物理：原子、分子和化学物理

CiteScore

5.70

自引率

3.60%

发文量

798

审稿时长

33 days

期刊介绍： Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage. Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.