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Keyword: Te)

Structural, electronic and optical properties of graphene-like nano-layers MoX2(X:S,Se,Te): DFT study

AbstractUsing the first principle calculations, the structural, electronic and optical properties of the monolayer graphene-like MoX2 sheet are calculated. Our results show that the chalcogenide atoms in the stability and the lattice parameters of the MoX2 sheet have a key role, although it is known that the electronic properties are more dependent on the metal […]