Strong Coupling of NiOx and Self-Assembled Molecules via Inserted Reductant for High-Performance Inverted Perovskite Solar Cells.
basic_science · Level V
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- Record sourced from PubMed, PMID 40787970.
- Also identified by DOI 10.1002/adma.202510553.
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Abstract
Self-assembled molecules (SAMs) deposited on nickel oxide (NiO<sub>x</sub>) are the basis for achieving high-performance inverted perovskite solar cells (PSCs). Unfortunately, the dissolution and redeposition of SAMs caused by the perovskite precursors leads to leaky monolayers, resulting in perovskite degradation and reduced stability. Here, a novel method is reported to realize strong coupling between NiO<sub>x</sub> and SAMs via inserted reductant [9tris(2-carboxyethyl)phosphine hydrochloride (TCEP)] for an integrated NiO<sub>x</sub>-SAMs hole transport layer (HTL). TCEP reduces NiO<sub>x</sub> and in situ forms C═O···Ni coordinated bond and O─H···O─Ni hydrogen bond, while its -COOH is connected with SAM's -PO(OH)<sub>2</sub> by phosphonate and hydrogen bond, which improve the compactness of SAMs, thereby strengthening hole extraction and lowering interfacial non-radiative recombination. Simulation calculations demonstrate that the HTL strongly coupled by TCEP has a stronger adsorption energy, significantly improving device long-term stability. Therefore, the device based on integrated NiO<sub>x</sub>-SAMs HTL obtains a substantial efficiency of 26.34%. The devices maintain an impressive 97.5% of their original efficiency after 1000 h of operation under 1-sun illumination and 90.1% after 1000 h of thermal treatment at 85 °C in nitrogen atmosphere. This work offers new horizons for designing NiO<sub>x</sub>-based HTLs with high SAMs coverage for high-performance PSCs.