Multication perovskite 2D/3D interfaces form via progressive dimensional reduction.

Proppe, Andrew H; Johnston, Andrew; Teale, Sam; Mahata, Arup; Quintero-Bermudez, Rafael; Jung, Eui Hyuk; Grater, Luke; Cui, Teng et al. · Nat Commun · 2021

basic_science · Level V

Where this comes from

Abstract

Many of the best-performing perovskite photovoltaic devices make use of 2D/3D interfaces, which improve efficiency and stability - but it remains unclear how the conversion of 3D-to-2D perovskite occurs and how these interfaces are assembled. Here, we use in situ Grazing-Incidence Wide-Angle X-Ray Scattering to resolve 2D/3D interface formation during spin-coating. We observe progressive dimensional reduction from 3D to n = 3 → 2 → 1 when we expose (MAPbBr<sub>3</sub>)<sub>0.05</sub>(FAPbI<sub>3</sub>)<sub>0.95</sub> perovskites to vinylbenzylammonium ligand cations. Density functional theory simulations suggest ligands incorporate sequentially into the 3D lattice, driven by phenyl ring stacking, progressively bisecting the 3D perovskite into lower-dimensional fragments to form stable interfaces. Slowing the 2D/3D transformation with higher concentrations of antisolvent yields thinner 2D layers formed conformally onto 3D grains, improving carrier extraction and device efficiency (20% 3D-only, 22% 2D/3D). Controlling this progressive dimensional reduction has potential to further improve the performance of 2D/3D perovskite photovoltaics.