Improving the Stability of Colloidal CsPbBr3 Nanocrystals with an Alkylphosphonium Bromide as Surface Ligand Pair
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2025
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| author | Pegu, Meenakshi Roshan, Hossein Otero-Martinez, Clara Goldoni, Luca Zito, Juliette Livakas, Nikolaos Rusch, Pascal De Boni, Francesco Di Stasio, Francesco Infante, Ivan De Trizio, Luca Manna, Liberato |
| author_facet | Pegu, Meenakshi Roshan, Hossein Otero-Martinez, Clara Goldoni, Luca Zito, Juliette Livakas, Nikolaos Rusch, Pascal De Boni, Francesco Di Stasio, Francesco Infante, Ivan De Trizio, Luca Manna, Liberato |
| contents | In this study, we synthesised a phosphonium-based ligand, trimethyl(tetradecyl)phosphonium bromide (TTP-Br), and employed it in the post-synthesis surface treatment of Cs-oleate-capped CsPbBr3 NCs. The photoluminescence quantum yield (PLQY) of the NCs increased from 60% to more than 90%, as a consequence of replacing Cs-oleate with TTP-Br ligand pairs. Density functional theory calculations revealed that TTP+ ions bind to the NC surface by occupying Cs+ surface sites and orienting one of their P-CH3 bonds perpendicular to the surface, akin to quaternary ammonium passivation. Importantly, TTP-Br-capped NCs exhibited higher stability in air compared to didodecyldimethylammonium bromide-capped CsPbBr3 NCs (which is considered a benchmark system), retaining 90% of their PLQY after six weeks of air exposure. Light-emitting diodes fabricated with TTP-Br-capped NCs achieved a maximum external quantum efficiency of 17.2 %, demonstrating the potential of phosphonium-based molecules as surface ligands for CsPbBr3 NCs in optoelectronic applications. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_07447 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Improving the Stability of Colloidal CsPbBr3 Nanocrystals with an Alkylphosphonium Bromide as Surface Ligand Pair Pegu, Meenakshi Roshan, Hossein Otero-Martinez, Clara Goldoni, Luca Zito, Juliette Livakas, Nikolaos Rusch, Pascal De Boni, Francesco Di Stasio, Francesco Infante, Ivan De Trizio, Luca Manna, Liberato Materials Science Chemical Physics In this study, we synthesised a phosphonium-based ligand, trimethyl(tetradecyl)phosphonium bromide (TTP-Br), and employed it in the post-synthesis surface treatment of Cs-oleate-capped CsPbBr3 NCs. The photoluminescence quantum yield (PLQY) of the NCs increased from 60% to more than 90%, as a consequence of replacing Cs-oleate with TTP-Br ligand pairs. Density functional theory calculations revealed that TTP+ ions bind to the NC surface by occupying Cs+ surface sites and orienting one of their P-CH3 bonds perpendicular to the surface, akin to quaternary ammonium passivation. Importantly, TTP-Br-capped NCs exhibited higher stability in air compared to didodecyldimethylammonium bromide-capped CsPbBr3 NCs (which is considered a benchmark system), retaining 90% of their PLQY after six weeks of air exposure. Light-emitting diodes fabricated with TTP-Br-capped NCs achieved a maximum external quantum efficiency of 17.2 %, demonstrating the potential of phosphonium-based molecules as surface ligands for CsPbBr3 NCs in optoelectronic applications. |
| title | Improving the Stability of Colloidal CsPbBr3 Nanocrystals with an Alkylphosphonium Bromide as Surface Ligand Pair |
| topic | Materials Science Chemical Physics |
| url | https://arxiv.org/abs/2512.07447 |