An Effective Zeta Potential Fitting Model for Sphere-Plate Interaction Force in Nanoparticle Suspensions

The silica sphere-plate interaction forces in zirconia nanoparticle suspensions have been successfully measured to explain how negligibly charged silica microspheres can be stabilized through the addition of highly charged zirconia nanoparticles. However, the influence of nanoparticle volume fraction on the stabilization as well as how various forces (the attractive van der Waals force, repulsive electrostatic force, and depletion force) contribute to the total interaction force still remains unclear. Therefore, an effective zeta potential fitting model is developed to explain the experimental interaction force curves based on a variable effective Debye length and a measured effective zeta potential using a continuum assumption.     

Analysis of Bonding between Conjugated Organic Molecules and Noble Metal Surfaces Using Orbital Overlap Populations

The electronic structure of metal-organic interfaces is of paramount importance for the properties of organic electronic and single-molecule devices. Here, we use so-called orbital overlap populations derived from slab-type band-structure calculations to analyze the covalent contribution to the bonding between an adsorbate layer and a metal. Using two prototypical molecules, the strong acceptor 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ) on Ag(111) and the strong donor 1H,1'H-[4,4']bipyridinylidene (HV0) on Au(111), we present overlap populations as particularly versatile tools for describing the metal-organic interaction. Going beyond traditional approaches, in which overlap populations are represented in an atomic orbital basis, we also explore the use of a molecular orbital basis to gain significant additional insight. On the basis of the derived quantities, it is possible to identify the parts of the molecules responsible for the bonding and to analyze which of the molecular orbitals and metal bands most strongly contribute to the interaction and where on the energy scale they interact in bonding or antibonding fashion.