175 citations · 1.3k across the 36 of their papers we have counts for
8 papers · 1 filter
Charge and hydration structure of dendritic polyelectrolytes: molecular simulations of polyglycerol sulphate
Rohit Nikam, Xiao Xu, Matthias Ballauff +2
Macromolecules based on dendritic or hyperbranched polyelectrolytes have been emerging as high potential candidates for biomedical applications. Here we study the charge and solvat…
Ionic structure around polarizable metal nanoparticles in aqueous electrolytes
Bendix Petersen, Rafael Roa, Joachim Dzubiella +1
Metal nanoparticles are receiving increased scientific attention owing to their unique physical and chemical properties that make them suitable for a wide range of applications in…
Ion-specific Adsorption on Bare Gold (Au) Nanoparticles in Aqueous Solution: Double-Layer Structure and Surface Potentials
Zhujie Li, Victor G. Ruiz, Matej Kanduč +1
We study the solvation and electrostatic properties of bare gold (Au) nanoparticles (NPs) of - nm in size in aqueous electrolyte solutions of sodium salts of various anions w…
Structural and Transport Properties of Li/S Battery Electrolytes: Role of the Polysulfide Species
Chanbum Park, Arne Ronneburg, Sebastian Risse +3
Lithium--sulfur (Li/S) batteries are regarded as one of the most promising energy storage devices beyond lithium-ion batteries because of their high energy density of 2600 Wh/kg an…
Competitive sorption of mono- versus di-valent ions by highly charged globular macromolecules
Rohit Nikam, Xiao Xu, Matej Kanduč +1
When a highly charged globular macromolecule, such as a dendritic polyelectrolyte or charged nanogel, is immersed into a physiological electrolyte solution, monovalent and divalent…
Tuning the Selective Permeability of Polydisperse Polymer Networks
Won Kyu Kim, Richard Chudoba, Sebastian Milster +3
We study the permeability and selectivity (`permselectivity') of model membranes made of polydisperse polymer networks for molecular penetrant transport, using coarse-grained, impl…