title: Shape change of nanocontainers via a reversible ionic buckling.
abstract: We demonstrate that small charged nanocages can undergo reversible changes of shapes by modifying the ionic conditions including salt concentration, pH, and dielectric permittivity of the medium. Using numerical simulations, we analyze structures with various charge stoichiometric ratios. At zero or low charge densities, the shape of the cage is determined by its elastic properties, and the surface charge pattern is dictated by the globally fixed geometry. As the charge density per molecule increases, the shape is strongly affected by the electrostatic forces. In this regime, the shape of the nanocage is controlled by the charge distribution.
authors.affiliation: Department of Materials Science and Engineering, Northwestern University, 2220 Campus Drive, Evanston, Illinois 60208, USA.
authors.forename: Rastko
authors.initials: R
authors.lastname: Sknepnek
authors.forename: Graziano
authors.initials: G
authors.lastname: Vernizzi
authors.forename: Monica Olvera
authors.initials: MO
authors.lastname: de la Cruz
mesh_terms: D006863:Hydrogen-Ion Concentration; D008958:Models, Molecular; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry*; D012492:Salts / Q000737:chemistry; D055672:Static Electricity; D013499:Surface Properties
chemical_list: D012492:Salts