“…[35,36] Using density functional theory (DFT) calculations, low energy structures of Pd doped gold clusters of different sizes and charge states have been predicted: Au n Pdq (n = 1-4, q = −1,0,1), [36] Au n Pd m (n + m ≤ 14), [37] Au n M (n = 1-7, M = Ni, Pd, Pt), [29] Au n Pd (n = 1-4), [38] and Au 32-m Pd m (m = 1, 2, 4, 6). [39] It has been shown that also the properties of larger Au nanoparticles (2-5 nm) can be significantly modified by introduction of other metals. In particular, in the Au-Pd alloy nanoparticles an increased d-electron density at the Au sites was observed by XANES experiments, giving rise to a Au "white" line intensity decrease and decreasing Au 4f binding energies in x-ray photoelectron spectroscopy studies, evidencing the charge transfer from Pd to Au 5d orbitals.…”