Table 1 Structural parameters for trefoil-like defects.

From: Three-fold rotational defects in two-dimensional transition metal dichalcogenides

 

T1

T2

T3

Tn

Rotation centre (Rc) for expansion

1

4

9

Pairs of M–X bond rotation (RP)

3

10

21

Octagons

3

6

9

3n

Pentagons

0

6

12

6(n-1)

DV(S/Se)

3

5

7

(2n+1)

Defect size (An)

12A0

25A0

42A0

(2n2+7n+3)A0

Rc and RP for migrating a lattice constant

5

9

13

4n+1

  1. Unit cell size A0=9.37 Å2.