Table 2 Comparison of the tilt angle of n = 2 RPP in non-exfoliated bulk interface, monolayer surface, and h-BN covered monolayer surface according to the simulation models.
From: Unlocking surface octahedral tilt in two-dimensional Ruddlesden-Popper perovskites
Bulk | Monolayer | h-BN covered monolayer | ||
|---|---|---|---|---|
Bond angle of n = 2 RPP | BA tilt angle Ω1; Ω2 (°), respectively | 13.3; 16.1 | 19.5; 17.5 | 26.9; 26.6 |
Out of plane tilt: Δθ (°) | 11.5 | 24.7 | 12.4 | |
In-plane tilt: Δγ (°) | 22.8 | 25.5 | 27.5 | |
