Electronic structure of purified Mo6S(9 − x)Ix nanowires studied by X-ray spectroscopy

The local electronic structure of purified Mo6S(9 − x)Ix (x = 6, 4.5) nanowires is investigated by X-ray absorption and fluorescence spectroscopies. The nanowires are found to be metallic with the density of states altered in both the conduction and the valence band depending on the stoichiometry. First-principle theoretical calculations suggest that the changes can be mainly attributed to the effect of strong MoS hybridization in the nanowires. The atomic chain structure of the nanowires is confirmed and the effect of increasing sulphur content is investigated.