Figure 10
From: A study of size-dependent properties of MoS2 monolayer nanoflakes using density-functional theory
HOMO-LUMO gap of the unpassivated structures (blue circles) versus the passivated structures (red diamonds). Passivated structures have larger HOMO-LUMO gaps. The black-dashed line indicates the known experimental band gap of a large MoS2 monolayer sheet as reported by Mak et al.9.
