Theoretical insights into multibandgap hybrid perovskites for photovoltaic applications
Résumé
This paper reviews some of the recent theoretical investigations on the Rashba Dresselhaus spin effects and dielectric properties of CH 3 NH 3 PbI 3 hybrid perovskites and CsPbI 3 all-inorganic perovskites using Density functional theory. The spin vectors rotate in the non-centrosymmetric P4mm tetragonal phase, respectively clockwise and counterclockwise, in a manner that is characteristic of a pure Rashba effect. The high frequency dielectric constants ε ∞ of MAPbI 3 and CsPbI 3 are similar as anticipated, since large differences are only expected at very low frequency where additional contributions from molecular reorientations show off for the hybrid compounds. A first simulation of a perovskite on silicon tandem cell, including a tunnel junction, is also investigated. Effect of halogen substitution (I/Br) is inspected, revealing limitations for short-circuit current and open-circuit voltage electrical characteristics.
Domaines
Chimie théorique et/ou physique| Origine | Fichiers produits par l'(les) auteur(s) |
|---|