XAFS studies of Au nanocrystals passivated by different surfactants

The electronic and atomic structures of Au nanocrystals affected by different surfactants (PPh3, PVP, and dodecanethiol) capping were studied by X-ray absorption fine structure (XAFS) at Au L3-edge. For PPh3, PVP, and dodecanethiol-capped Au nanocrystals, the surface Au atoms interact with P, O, and S atoms respectively; however, only for dodecanethiol-capped Au nanocrystals, a significant electron transfer between Au and S atoms is observed. The extend-XAFS results reveal that the atomic structure disorder of Au-Au shell gradually increases from 0.0095 to 0.0152 Å2 when the surfactants goes from PPh3 to dodecanethiol. These results suggest that the surfactants would change the electronic and atomic structures of Au nanocrystals rather than merely passivates on the surface of Au nanocrystals.