Advances and Promises of Layered Halide Hybrid Perovskite Semiconductors

Laurent Pedesseau 1 Daniel Sapori 1 Boubacar Traoré 2 Roberto Robles 3 Hong-Hua Fang 4 Maria Antonietta Loi 4 Hsinhan Tsai 5, 6 Wanyi Nie 6 Jean-Christophe Blancon 6 Amanda Neukirch 6 Sergei Tretiak 6 Aditya Mohite 6 Claudine Katan 2 Jacky Even 1 Mikaël Kepenekian 2
1 FOTON - Fonctions Optiques pour les Technologies de l'informatiON
2 ISCR - Institut des Sciences Chimiques de Rennes
3 CSIC - Consejo Superior de Investigaciones Científicas [Spain]
4 Zernike Institute for Advanced Materials
5 Rice University [Houston]
6 LANL - Los Alamos National Laboratory
Abstract : Layered halide hybrid organic-inorganic perovskites (HOP) have been the subject of intense investigation before the rise of 3-dimensional (3D) HOP and their impressive performance in solar cells. Recently, layered HOP have also been proposed as attractive alternatives for photostable solar cells, and revisited for light emitting devices. In this review, we combine classical solid-state physics concepts with simulation tools based on density functional theory (DFT) to overview the main features of the optoelectronic properties of layered HOP. A detailed comparison between layered and 3D HOP is performed to highlight differences and similarities. In the same way as the cubic phase was established for 3D HOP, here we introduce the tetragonal phase with D4h symmetry as the reference phase for 2D monolayered HOP. It allows for detailed analysis of the spin-orbit coupling effects and structural transitions with corresponding electronic band folding. We further investigate the effects of octahedral tilting on the band-gap, loss of inversion symmetry and possible Rashba effect, quantum confinement and dielectric confinement related to the organic barrier, up to excitonic properties. Altogether this paper aims to provide an interpretive and predictive framework for 3D and 2D layered HOP optoelectronic properties.
Keywords : Bethe−Salpeter equation Rashba density functional theory dielectric confinement exciton halide perovskites k·p layered materials quantum confinement
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CNRS | INSTITUT-TELECOM | ISCR | UNIV-RENNES1 | ISCR-CTI | INC-CNRS | UR1-UFR-SPM | FOTON | FOTON_OHM | UNIV-RENNES | FOTON-INSA | INSA-RENNES | INSA-GROUPE

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Laurent Pedesseau, Daniel Sapori, Boubacar Traoré, Roberto Robles, Hong-Hua Fang, et al.. Advances and Promises of Layered Halide Hybrid Perovskite Semiconductors. ACS Nano, American Chemical Society, 2016, 10 (11), pp.9776-9786. ⟨10.1021/acsnano.6b05944⟩. ⟨hal-01384468⟩

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