Self-Assembly Metal Chelate as Ultraviolet Filterable Interface Layer for Efficient Organic Solar Cells,Advanced Energy Materials

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Self-Assembly Metal Chelate as Ultraviolet Filterable Interface Layer for Efficient Organic Solar Cells
Advanced Energy Materials ( IF 24.4 ) Pub Date : 2022-06-30 , DOI: 10.1002/aenm.202201306
Runnan Yu ₁ , Rui Shi ₁ , Hao Liu _{1,

2} , Guangzheng Wu ₁ , Zongwen Ma ₁ , Huaizhi Gao ₁ , Zhangwei He ₁ , Zhan'ao Tan ₁

Affiliation

Interface engineering plays a vital role in the further improvement of efficiency and stability for organic solar cells (OSCs). Herein, a self-assembly metal chelate based on hafnium and a designed ligand, N-(4-(3-oxobutanoyl)phenyl)acetamide (ACBN) is applied as both interfacial modification layer and UV-light filter in OSCs. The strong hydrogen-bond induced intermolecular interaction enables Hf(ACBN)₄ with the prerequisite of adequate solvent resistance to work as an electron transport layer (ETL) in the inverted OSCs. The self-assembly behavior of Hf(ACBN)₄ on the SnO₂ film surface via constructing compact coordination structure has been verified via systematic theory calculations. In addition to optimizing the energy level alignment, the Hf(ACBN)₄ modification effectively passivates the surface defect of SnO₂ films for less surface charge recombination and a more efficient charge collection process. Thus, the OSCs with Hf(ACBN)₄ layer yield a maximum PCE of 18.1%, better than that based on the bare SnO₂ layer. Moreover, beneficial from the reduced oxygen vacancies via coordination effect and the UV-light filter function of Hf(ACBN)₄, the OSCs based on SnO₂/ Hf(ACBN)₄ composite ETL exhibit preferable stabilities under UV-light irradiation or continuous operational conditions.

中文翻译：

自组装金属螯合物作为高效有机太阳能电池的紫外线可过滤界面层

界面工程在进一步提高有机太阳能电池（OSC）的效率和稳定性方面发挥着至关重要的作用。在此，基于铪和设计的配体 N-(4-(3-氧代丁酰基)苯基)乙酰胺 (ACBN) 的自组装金属螯合物在 OSC 中用作界面改性层和紫外光过滤器。强氢键诱导的分子间相互作用使 Hf(ACBN) ₄在具有足够耐溶剂性的前提下能够在倒置 OSC 中用作电子传输层 (ETL)。_{通过系统的理论计算验证了Hf(ACBN) 4}通过构建致密的配位结构在SnO ₂薄膜表面的自组装行为。除了优化能级对齐之外，Hf(ACBN)₄改性有效地钝化了SnO ₂薄膜的表面缺陷，从而减少了表面电荷复合和更有效的电荷收集过程。因此，具有 Hf(ACBN) ₄层的 OSC 产生的最大 PCE 为 18.1%，优于基于裸 SnO ₂层的 OSC。_{此外，得益于通过配位效应降低氧空位和 Hf(ACBN) 4}的紫外光过滤功能，基于 SnO ₂ / Hf(ACBN) ₄复合 ETL 的 OSC 在紫外光照射或连续运行下表现出较好的稳定性条件。

更新日期：2022-06-30

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