Electronic structure and surface structure of Cu2S nanorods from polarization dependent X-ray absorption spectroscopy

• Highly aligned CuS nanorods have been studied by polarization dependent X-ray absorption spectroscopy. In contrast to bulk Cu2S, strong s, p, and d hybridization is found in the nanorods. The polarization dependence shows a predominant d(z2) character of Cu 3d states. Ab initio multiple-scattering calculations confirm the strong hybridization, and reveal that CuS nanorods are grown along the z-axis of chalcocite structure with Cu-7 and Cu-10 sites being the main building blocks. The hybridized absorption peak in the nanorods is shifted towards lower energies for smaller diameter of nanorods, which is attributed to surface reconstruction due to strong Cu-Cu interactions on the Cu-rich surface of the nanorods.

Nyckelord

Cu2S nanorods

electronic structure

X-ray spectroscopy

ab initio

multiple-scattering calculations

sulfide nanowire arrays

cdse nanocrystals

crystal-structure

low

chalcocite

particle-size

growth

nanoparticles

state

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