Seven-layered 2D Hybrid Lead Iodide Perovskites

Lingling Mao (1) , Rhys M. Kennard (2) , Boubacar Traore (3, 4) , Weijun Ke (1) , Claudine Katan (3) , Jacky Even (4) , Michael L Chabinyc (2) , Constantinos C Stoumpos (1) , Mercouri G Kanatzidis (1)

1 Northwestern University [Evanston]
2 UC Santa Barbara - University of California [Santa Barbara]
3 ISCR - Institut des Sciences Chimiques de Rennes
4 FOTON - Institut des Fonctions Optiques pour les Technologies de l'informatiON

Two-dimensional hybrid halide perovskites offer high chemical versatility, strong potential in optoelectronics. Here, we report the highest layer thickness perovskites yet to be crystallographically characterized, for the Dion-Jacobson (DJ) family. The seven-layered DJ phase (4AMP)(MA) 6Pb 7I 22 (4AMP =4-aminomethylpyperidinium) shows less distortion in the crystal structure than the Ruddlesden-Popper (RP) phase (BA) 2(MA) 6Pb 7I 22 (BA = butylammonium). The comparison of the DJ and RP perovskites reveals that the fine structural details still influence the optical properties, with the DJ phase maintaining a lower energy absorption edge and photoluminescence emission (1.53 and 1.70 eV) than the RP phase (1.57 and 1.74 eV). Density functional theory (DFT) calculations show that the localized density of states of conduction band minimum and valence band maximum are situated at different parts of the layers, implying separate channels in the structure followed by electrons and holes. Unlocking high-layer-thickness layered perovskites provides accessibility to new perovskites for high-performance optoelectronics.

Mots clés: 2D semiconductors; organic-inorganic hybrids; photoconductivity solar cells

Domaines: Chimie théorique et/ou physique; Matériaux; Matière Condensée [cond-mat]

Lingling Mao, Rhys M. Kennard, Boubacar Traore, Weijun Ke, Claudine Katan, et al.. Seven-layered 2D Hybrid Lead Iodide Perovskites. Chem, 2019, 5 (10), pp.2593. ⟨10.1016/j.chempr.2019.07.024⟩. ⟨hal-02269401⟩