Graphene and Other 2D Material Components Dynamic Characterization and Nanofabrication at Atomic Scale

Table 1

The nonrelaxed formation energies of chalcogen and metal vacancies (eV).

	MoS2		WS2		MoSe2
	S	Mo	S	W	Se	Mo
MX2 layer	6.1	13.9	6.3	15.3	5.6	12.4
Armchair ribbon	4.9	9.6	5.4	11.4	4.4	8.4
Zigzag ribbon	4.4	8.0	4.8	9.2	4.2	7.2
M5X4 ribbon	6.8	8.8	7.1	9.8	6.0	8.7

The nonrelaxed of chalcogen vacancy in monolayer MX₂ agrees with the displacement threshold [19].
^*Armchair ribbon of five dimer lines and zigzag ribbon of four zigzag chains across width are considered.
Edge chalcogen and metal vacancies in the armchair, zigzag, and M₅X₄ ribbons are chosen for formation energy calculations.