First principles study of surface defects and luminescence recovery of CH3NH3PbBr3 by H2O and O2 gas
Xiaoyang Che a b, Hong-Hua Fang c, Maria Antonietta Loi c, Claudine Katan a, Mikael Kepenekian a, Jacky Even b
a Institut des Sciences Chimiques de Rennes, CNRS, Université de Rennes 1, Ecole Nationale Supérieure de Chimie de Rennes, INSA Rennes, Rennes, France
b Fonctions Optiques pour les Technologies de l’Information (FOTON), Institut National des Sciences Appliquées (INSA) de Rennes, CNRS, UMR 6082, Rennes, France
c University of Groningen, The Netherlands, Nijenborgh, 4, Groningen, Netherlands
nanoGe Perovskite Conferences
Proceedings of International Conference on Perovskite Thin Film Photovoltaics, Photonics and Optoelectronics (ABXPV18PEROPTO)
Perovskite Photonics and Optoelectronics (PEROPTO18). 1st March
Rennes, France, 2018 February 27th - March 1st
Organizers: Jacky Even and Sam Stranks
Oral, Xiaoyang Che, presentation 065
DOI: https://doi.org/10.29363/nanoge.abxpvperopto.2018.065
Publication date: 11th December 2017

The recent revolutionary increase of power conversion efficiency demonstrated by perovskite-based solar cells has given rise to great interest from the scientific community. In the last few years, an ever-increasing number of experimental and theoretical studies have been performed on 3-dimensional hybrid halide perovskite  such as CH3NH3PbX3 (X=Br, I). Here, we consider CH3NH3PbBr3 that is known to have good luminescent properties. So far, the surface defects are one of the major factors for fluorescence quenching [1]. It has recently been reported that exposition to moisture and O2 gas can recover the luminescent properties [2-4]. In order to elucidate the luminescence quenching-reactivation mechanism, we herein carefully inspect the structural, electronic and optical properties both for bulk and (001) surface of CH3NH3PbBr3 using atomic scale simulations.

References: [1] G. Grancini et al. Chem. Sci. (2015), 6, 7305-7310; [2] H.-H Fang et al. Sci. Adv. (2016), 2, 7; [3] H. Wei et al. Nature Photonics (2016), 10, 333;  [4] Yin, W.-J et al. Adv. Electron. Mater. (2015), 1, 1500044.

© FUNDACIO DE LA COMUNITAT VALENCIANA SCITO
We use our own and third party cookies for analysing and measuring usage of our website to improve our services. If you continue browsing, we consider accepting its use. You can check our Cookies Policy in which you will also find how to configure your web browser for the use of cookies. More info