title: Low-symmetry structures of Au32Z (Z = +1, 0, -1) clusters.
abstract: In this work, we have explored new stable structures of the Au32Z (Z = +1, 0, -1) clusters. Theoretical calculations using density functional theory within the generalized-gradient approximation were performed. Our results show that, in the anion state (Au32-), low-symmetry (disordered) structures are preferred over the caged fullerene-like isomer. In addition, the cationic cluster (Au32+) also exhibits a disordered low-symmetry structure as its lowest energy configuration, but it is much closer in energy to the fullerene-like isomer. These results, obtained at T = 0 K, indicate that disordered structures for the Au32- and Au32+ clusters may be detected not only at room temperature, as was experimentally verified for the Au32- one, but also at much lower temperatures.
authors.affiliation: Instituto de Química, Universidad Nacional Autónoma de México, México D.F., México.
authors.forename: Abraham F
authors.initials: AF
authors.lastname: Jalbout
authors.forename: Flavio F
authors.initials: FF
authors.lastname: Contreras-Torres
authors.forename: Luis A
authors.initials: LA
authors.lastname: Pérez
authors.forename: Ignacio L
authors.initials: IL
authors.lastname: Garzón