title: Theoretical description of the role of halides, silver, and surfactants on the structure of gold nanorods.
abstract: Density functional theory simulations including dispersion provide an atomistic description of the role of different compounds in the synthesis of gold-nanorods. Anisotropy is caused by the formation of a complex between the surfactant, bromine, and silver that preferentially adsorbs on some facets of the seeds, blocking them from further growth. In turn, the nanorod structure is driven by the perferential adsorption of the surfactant, which induces the appearance of open {520} lateral facets.
authors.affiliation: Institute of Chemical Research of Catalonia, ICIQ , Av. Països Catalans, 16, 43007 Tarragona, Spain.
authors.forename: Neyvis
authors.initials: N
authors.lastname: Almora-Barrios
authors.forename: Gerard
authors.initials: G
authors.lastname: Novell-Leruth
authors.forename: Peter
authors.initials: P
authors.lastname: Whiting
authors.forename: Luis M
authors.initials: LM
authors.lastname: Liz-Marzán
authors.forename: Núria
authors.initials: N
authors.lastname: López