Properties

Bulk-MoS₂

Monolayer MoS₂

Lattice constant (a)

[angstrom]

3.19 (present calculation)

3.16 (Ref [1] )

3.195

3.20 (Ref [32] )

3.23 (Ref [16] )

c/a ratio

3.86 (present calculation)

3.89 (Ref [1] )

Cohesive energy (eV/atom)

4.960

4.979