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ACS Nano. 2016 Nov 22;10(11):9776-9786. Epub 2016 Oct 24.

Advances and Promises of Layered Halide Hybrid Perovskite Semiconductors.

Author information

1
Fonctions Optiques pour les TélécommunicatiONs (FOTON), INSA de Rennes, CNRS, UMR 6082, 35708 Rennes, France.
2
Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes 1 , CNRS, UMR 6226, 35042 Rennes, France.
3
Catalan Institute of Nanoscience and Nanotechnology (ICN2), CSIC and The Barcelona Institute of Science and Technology , Campus UAB, Bellaterra, 08193 Barcelona, Spain.
4
Zernike Institute for Advanced Materials, University of Groningen , Nijenborgh 4, Groningen 9747 AG, The Netherlands.
5
Los Alamos National Laboratory , Los Alamos, New Mexico 87545, United States.

Abstract

Layered halide hybrid organic-inorganic perovskites (HOP) have been the subject of intense investigation before the rise of three-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 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

PMID:
27775343
DOI:
10.1021/acsnano.6b05944

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