  In this paper, the electronic structure and bond properties of MoS2, MoSe2
and MoTe2 are studied. Density functional theory (DFT) calculates combined with
the binding energy and bond-charge (BBC) model to obtain electronic structure,
binding energy shift and bond properties. It is found that electrostatic
shielding by electron exchange is the main cause of density fluctuation. A
method for calculating the density of Green's function with energy level shift
is established. It provides new methods and ideas for the further study of the
binding energy, bond states and electronic properties of nanomaterials.
