Figure 6: Additivity of DOS of partial clusters.
(a) Density of states of the full thiolated Au144(SR)60, R=CH3, and of the following partial structures: the ad hoc structure of all gold atoms Au144, the Grand Core Au114, the shell of all non-Au atoms, as well as the shell of all ligands, including the Au atoms in the staple motifs. The zero of the energy axis is the Fermi energy, except for the latter two ad hoc shell structures, which were shifted so as to agree with the lower part of the d-band-related broad contribution, between −6 and −8 eV. (b) Density of states of the full thiolated Au144(SR)60, R=CH3, compared with the sum of the densities of states as indicated.
