Bandgap shift in SnO2 nanostructures induced by lattice strain and coordination imperfection

We have established an analytical model to address the bandgap shift in SnO2 nanostructures in self-equilibrium state on the basis of bond length and bond energy correlations. Based on these analyses of the relationship among the bonding identities, single bond energy, and bandgap shifts derived from the energy perturbation, we found that the deformation potentials relationship of SnO2 nanodots and nanowires are different, while both bandgap energies exhibit a pronounced blueshift as comparable to those of the bulk counterparts. This bandgap shift is attributed to the lattice strain and coordination imperfection in the surfaces of nanostructures.