Hydrogen Bonding Denticity Governs Surface Modulation in Inorganic Perovskite Nanocrystals
Small (2026) e75614
Abstract:
All-inorganic CsPbI3 perovskite nanocrystals (PNCs) have emerged as promising emitters for optoelectronic applications owing to their high color purity, tunable bandgap, and high photoluminescence quantum yield (PLQY). However, dynamic surface ligands, abundant trap states, and rapid halide ion migration limit their emission efficiency and operational stability. Here, methylammonium (MA+), formamidinium (FA+), and guanidinium (GA+) were systematically investigated as surface modulators for PNCs via an anti-solvent-assisted post-treatment strategy. Spectroscopic analyses and density functional theory calculations reveal that the passivation efficacy is determined by the strength and denticity of hydrogen-bonding interactions between the organic cations and the PNC surface. Among the three candidates, GA+ exhibits the highest efficacy owing to its trifunctional NâH groups, which enable robust multidentate surface interactions that suppress trap formation and halide ion migration. As a result, GA-treated PNCs achieve a PLQY of 99.3% and retain âŒ80% of their initial PLQY after 9 days under ambient conditions. The resulting perovskite light-emitting diodes deliver a maximum external quantum efficiency of 10.2% and a maximum luminance of 473 cd m-2, representing a significant improvement over pristine devices. These findings identify molecular hydrogen-bonding geometry as a key design parameter for surface engineering of efficient and stable PNC-based optoelectronic devices.An âinterlockingâ core-shell architecture stabilises perovskite nanocrystal emitters
Light: Science & Applications Springer Nature 15:1 (2026) 373
Abstract:
The practical application of perovskite nanocrystals has been hindered by their intrinsic instability, arising from the coupled effects of soft ionic lattices, ion migration, and surface reactions. A hierarchical shell strategy now addresses these intertwined degradation pathways through lattice-interface âinterlockingâ, achieving T90 values exceeding 27,000âh under continuous blue-light exposure. Notably, the resulting hierarchical shell-perovskite nanocrystals enable reliable colour-conversion display prototypes.The Impact of C60-Self-Assembled Monolayer Electron-Transport Layers in NegativeâIntrinsicâPositive Perovskite Solar Cells
ACS Energy Letters (2026)
Abstract:
We investigate the impact of employing fullerene self-assembled monolayers (SAMs) in conjunction with SnO2 electron-transport layers (ETLs) in negativeâintrinsicâpositive (nâiâp) perovskite solar cells. We compare the efficacy of the fullerene-SAM surface-binding groupâcarboxylic or phosphonic acidâon the passivation, charge transport, and energetics of the modified-SnO2 surface. Planar nâiâp perovskite solar cells with these SAM-modified SnO2 exhibit significantly reduced hysteresis, and the steady-state maximum power point tracked efficiencies (η MPP) of the devices improved from an average of 18.6â20.0% comparing devices with neat SnO2 to the C60-PA SAM inclusion, respectively. While C60-PA SAM improved the initial solar cell efficiency, this benefit was not maintained during light exposure at elevated temperatures as the fullerene SAM weakened adhesion at the perovskite/metal oxide interface in the aged devices. These results highlight the importance of improving the mechanical robustness of perovskite/charge-transport layer interfaces under operational aging conditions.Nanoporous ScaffoldâAssisted LigandâFree CsPbBr3 Quantum Dots for Bright and Ultrapure Green LightâEmitting Diodes
Advanced Optical Materials Wiley (2026)
Abstract:
ABSTRACT The development of stable and spectrally pure green emitters remains a critical challenge for high performance full color displays and solidâstate lighting. In this work, we present a simple and effective approach to fabricate perovskite lightâemitting diodes based on CsPbBr 3 quantum dots confined within a nanoporous silica scaffold. The introduction of linear (n) or branched (t) butylammonium bromide and crown ethers into the precursor solution prior to infiltration induces improved charge injection and transport across the active layer. This dualâadditive approach contributes to a dramatic enhancement in device performance, leading to a highest luminance exceeding 10,000Â cd m â 2 , and markedly improved operational stability. The optimized devices exhibit ultrapure green emission centered at 520Â nm with a narrow spectral width below 20Â nm. The proposed method provides a versatile and scalable route toward bright, spectrally pure, and durable perovskite lightâemitting devices.Beyond the Gold Standard: Towards Industrially Viable Electrodes for Durable Perovskite Solar Cells
Advanced Energy Materials Wiley (2026)