ALD-Deposited Hydroxyl-Rich NiO<sub>x</sub> to Enhance SAM Anchoring for Stable and Efficient Perovskite Solar Cells

The interface between nickel oxide (NiO<sub>x</sub>) and self-assembled monolayers (SAMs) in perovskite solar cells (PSCs) often suffers from limited adsorption strength, poor energy-level alignment, and inadequate defect passivation, which hinder device performance and stability. To add...

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Bibliographic Details
Main Authors: Fengming Guo, Xuteng Yu, Yuheng Li, Yong Chen, Chi Li, Chunming Liu, Peng Gao
Format: Article
Language:English
Published: MDPI AG 2025-03-01
Series:Molecules
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Online Access:https://www.mdpi.com/1420-3049/30/6/1299
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Summary:The interface between nickel oxide (NiO<sub>x</sub>) and self-assembled monolayers (SAMs) in perovskite solar cells (PSCs) often suffers from limited adsorption strength, poor energy-level alignment, and inadequate defect passivation, which hinder device performance and stability. To address these issues, we introduce a hybrid hole selective layer (HSL) combining atomic layer deposition (ALD)-fabricated NiO<sub>x</sub> with full-aromatic SAM molecules, creating a highly stable and efficient interface. ALD NiO<sub>x</sub>, enriched with hydroxyl groups, provides robust adsorption sites for the SAM molecule MeO-PhPACz, ensuring a strong, stable interaction. This hybrid HSL enhances energy-level alignment, hole selectivity, and defect passivation at the NiO<sub>x</sub>/perovskite interface. Devices utilizing this approach demonstrate significant performance improvements, achieving a power conversion efficiency (PCE) of 21.74%, with reduced voltage losses and minimal hysteresis. Furthermore, operational stability tests reveal enhanced durability under elevated humidity and temperature conditions. These findings highlight the potential of ALD NiO<sub>x</sub> and SAM hybrid HSL to overcome existing barriers, advancing the commercial viability of PSC technologies.
ISSN:1420-3049