Fig. 1: Energetics of various defect configurations in MoS2 ML, which can form upon Se ion impacts. | npj 2D Materials and Applications

Fig. 1: Energetics of various defect configurations in MoS2 ML, which can form upon Se ion impacts.

From: Low-energy Se ion implantation in MoS2 monolayers

Fig. 1

The energy required to form a S vacancy (a) and Mo vacancy (b) is determine by taking the corresponding atom to infinity. Filling of a S vacancy by a Se atom (c) is energetically preferable over forming an adatom (d). Panel e illustrates the energetics of an atom exchange and f an interaction of the S vacancy with Se dimer.

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