@article{41b6da47ff0449f6b3d882d0b4f8591c,
title = "Surface and optical properties of phase-pure silver iodobismuthate nanocrystals",
abstract = "The study of surface defects is one of the forefronts of halide perovskite research. In the nanoscale regime, where the surface-to-volume ratio is high, the surface plays a key role in determining the electronic properties of perovskites. Perovskite-inspired silver iodobismuthates are promising photovoltaic absorbers. Herein, we demonstrate the colloidal synthesis of phase pure and highly crystalline AgBiI4 nanocrystals (NCs). Surface-sensitive spectroscopic techniques reveal the rich surface features of the NCs that enable their impressive long-term environmental and thermal stabilities. Notably, the surface termination and its passivation effects on the electronic properties of AgBiI4 are investigated. Our atomistic simulations suggest that a bismuth iodide-rich surface, as in the case of AgBiI4 NCs, does not introduce surface trap states within the band gap region of AgBiI4, unlike a silver iodide-rich surface. These findings may encourage the investigation of surfaces of other lead-free perovskite-inspired materials.",
author = "Anastasia Matuhina and Grandhi, {G. Krishnamurthy} and Ashanti Bergonzoni and Laurent Pedesseau and Roberto Grisorio and Shambhavee Annurakshita and Harri Ali-L{\"o}ytty and Riya Varghese and Kimmo Lahtonen and George Volonakis and Vincenzo Pecunia and Godofredo Bautista and Jacky Even and Paola Vivo",
note = "Funding Information: This work is part of the Academy of Finland Flagship Programme, Photonics Research and Innovation (PREIN), decision No 320165. A. M. and P. V. thank the financial support of Tampere University, Faculty of Engineering and Natural Sciences. P. V. also thanks Jane and Aatos Erkko foundation for the financial support (SOL-TECH project). G. K. G. acknowledges Tampere Institute for Advanced Study for postdoctoral funding. S. A. thanks Jenny and Antti Wihuri Foundation, R. V. thanks Finnish Foundation for Technology Promotion, G. V. acknowledges support from the Agence Nationale pour la Recherche through the CPJ program. G. B. thanks PREIN Flagship support No. 31001491. J. E. acknowledges the financial support from the Institut Universitaire de France. This project has received funding from the European Union's Horizon 2020 Research and Innovation Program under grant agreement no 862656 (project DROP-IT). DFT calculations were performed at FOTON Institute, and the work was granted access to the HPC resources of TGCC/CINES under the allocation A0140911434 made by GENCI. Tampere Microscopy Center is gratefully acknowledged for providing the access to the characterization facilities. Publisher Copyright: {\textcopyright} 2023 The Royal Society of Chemistry.",
year = "2023",
month = aug,
day = "22",
doi = "10.1039/d3nr02742b",
language = "English",
volume = "15",
pages = "14764--14773",
journal = "Nanoscale",
issn = "2040-3364",
publisher = "Royal Society of Chemistry",
number = "36",
}