Insight from theory on optoelectronic properties of layered hybrid perovskites

Abstract : Solution-processed organometallic halide perovskite have recently emerged as promising absorbers in the realm of photovoltaic technology. During the first years of this “perovskite boom”, attention has been drawn on 3D structural networks with methylammonium lead iodide as the superstar. More recently, layered hybrid perovskites gained renewed interest for several reasons, among which increased stability and room for chemical design as well as broader perspectives for technological advances. In the last few months, several families of phase-pure n-layered perovskites (n number of octahedron in the perovskite layer sandwiched between two organic layers) have been synthetized and shown to demonstrate key features promising for both fundamental physics and improved devices. Here, starting from our early theoretical contribution on a 1-layered lead-halide perovskite, which has highlighted differences with conventional semiconductors and importance of relativistic effects, we will investigate through a couple of examples quantum and dielectric confinement, excitons in bulk5 and their fate on the surface as well as the composite nature of this class of semiconductors that facilitates the determination of band alignments and offers a framework suited to provide design principles for next generation technologies. The theoretical modeling capitalizes on available DFT codes, development of DFT-based methodologies including empirical resolution of the Bethe-Salpeter Equation that leads to quantitative agreement with exciton binding energies as determined by low-temperature high-field magneto-absorption experiments.
Type de document :
Communication dans un congrès
Psi-K Workshop "2D-layered materials for opto-electronics: a theoretical/computational perspective", Dec 2017, Rome, Italy
Liste complète des métadonnées

https://hal.archives-ouvertes.fr/hal-01670419
Contributeur : Jacky Even <>
Soumis le : jeudi 21 décembre 2017 - 13:32:22
Dernière modification le : mardi 29 mai 2018 - 19:12:01

Identifiants

  • HAL Id : hal-01670419, version 1

Citation

Claudine Katan, Boubacar Traoré, Mikael Kepenekian, Wanyi Nie, Jean-Christophe Blancon, et al.. Insight from theory on optoelectronic properties of layered hybrid perovskites. Psi-K Workshop "2D-layered materials for opto-electronics: a theoretical/computational perspective", Dec 2017, Rome, Italy. 〈hal-01670419〉

Partager

Métriques

Consultations de la notice

150