Table 1 Comparison of the tilt angles of n = 4 RPP in monolayer surface and bulk interface according to DFT calculations.
From: Unlocking surface octahedral tilt in two-dimensional Ruddlesden-Popper perovskites
Exfoliated surface | Non-exfoliated surface | ||
|---|---|---|---|
Tilt angle Ω (°) of BA | 27.1 | 14.4 | |
Surface octahedral tilt of n = 4 RPP | Pb(1)–IE–Pb(2): θ (°) | 145.3 | 150.5 |
Out of plane tilt: Δθ (°) | 34.7 | 29.5 | |
IE(1)–IE(2)–IE(3): γ (°) | 93.2 | 88.4 | |
In-plane tilt: Δγ (°) | 3.2 | 1.6 | |
