Figure 3: First principles simulations of the 2D/3D interface.
From: One-Year stable perovskite solar cells by 2D/3D interface engineering
(a) Local density of state (DOS) of the 3D/2D interface and (b) interface structure with the 2D phase contacting the TiO2 surface. (c) Partial DOS summed on the 2D and 3D fragments calculated by including spin-orbit-coupling (SOC, inset) and without it. Notice the favourable alignment of conduction band states for electron injection into the 2D perovskite and possibly further into TiO2.
