Publication date: 17th February 2025
The efficiency of p-i-n perovskite solar cells has recently seen a significant boost, primarily due to the integration of self-assembling molecules (SAMs) as a hole-transporting layer (HTL). SAMs offer several advantages over traditional HTLs, including minimal material usage, low cost, and ease of processing. Current efforts are largely focused on carbazole-based phosphonic acids such as 2PACz and its derivatives. However, the flexibility of organic chemistry enables the creation of phosphonic acids with alternative organic cores that may provide unique benefits.
We designed and synthesized three novel phosphonic acids for use as an HTL in p-i-n perovskite solar cells, each featuring an aromatic core commonly found in organic semiconductors. The resulting SAMs differ in their energy level alignment with the perovskite active layer. Among them, a pyrene-based phosphonic acid (4PAPyr) achieves optimal alignment, leading to solar cells that outperform the commercially available 2PACz. After device optimization, a power conversion efficiency of 22.2% was attained with 4PAPyr. Solar cells using 4PAPyr possess increased stability under maximum power point tracking under continuous 1-sun light soaking as compared to those using 2PACz. Furthermore, improved surface coverage on ITO with 4PAPyr results in a notably higher yield of functional solar cell devices and a reduced spread in device efficiencies as compared to 2PACz, a crucial factor toward the development of large-area solar cells using SAMs as an HTL. Our study highlights the critical role of diversifying phosphonic acid design to drive further advancements in the efficiency, stability, and scalability of perovskite solar cells.[1]
The Research Foundation-Flanders (FWO) is acknowledged for funding under the project agreements S002019N, G043320N and G0A8723N.
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