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We investigated the vibrational dynamics and the structural relaxation of water nanoconfined in porous silica samples with pore size of 4 nm at different levels of hydration and temperature. We used as spectroscopic technique the…
Near-fields around nanophotonic structures and waveguides can be used to optically interface particles ranging from atoms and molecules to microscopic biological and synthetic particles. Due to the strong, non-linear dependence of the…
The polyol route is a versatile and up-scalable method to produce large batches of iron oxide nanoparticles with well-defined structure and magnetic properties. Controlling parameters such as temperature and duration of reaction, heating…
Silicon nanocrystals with diameters between 1 and 3 nm and surfaces passivated by chlorine or a mixture of chlorine and hydrogen were modeled using density functional theory, and their properties compared with those of fully hydrogenated…
Designing reconfigurable materials based on deformable nanoparticles (NPs) hinges on an understanding of the energetically-favored shapes these NPs can adopt. Using simulations, we show that hollow, deformable patchy NPs tailored with…
We report a novel, polarization dependent, femtosecond laser-induced modification of surface nanostructures of indium, gallium, and arsenic grown on silicon via molecular beam epitaxy, yielding shape control from linear and circular…
Using a coarse-grained bead-spring model of flexible polymer chains, the structure of a polymeric nanodroplet adsorbed on a chemically decorated flat wall is investigated by means of Molecular Dynamics simulation. We consider sessile drops…
We study the effect of atomic scale surface-lubricant interactions on nanoscale boundary-lubricated friction, by considering two example surfaces - hydrophilic mica and hydrophobic graphene - confining thin layers of water in molecular…
The dip coating of suspensions made of monodisperse non-Brownian spherical particles dispersed in a Newtonian fluid leads to different coating regimes depending on the ratio of the particle diameter to the thickness of the film entrained on…
Water plays a key role in biological membrane transport. In ion channels and water-conducting pores (aquaporins), one dimensional confinement in conjunction with strong surface effects changes the physical behavior of water. In molecular…
We report dielectric relaxation spectroscopy experiments on two rod-like liquid crystals of the cyanobiphenyl family (5CB and 6CB) confined in tubular nanochannels with 7 nm radius and 340 micrometer length in a monolithic, mesoporous…
We study the formation of nanometer thick oxide layers around nanoparticles (plateaus) in a wet nitrogen environment over 32 days. We determine both the plateau height and the lateral force needed to remove the particles with an atomic…
The mobility of water molecules confined in a silica pore is studied by computer simulation in the low hydration regime, where most of the molecules reside close to the hydrophilic substrate. A layer analysis of the single particle dynamics…
Using large-scale molecular dynamics simulations, we investigate the scaling of morphological and contact mechanics properties of Al and Cu nanoparticles (NPs) physisorbed on suspended graphene. The characteristic linear size of a NP ranges…
The shear strength of cohesionless granular materials is generally attributed to the compactness or anisotropy of their microstructure. An open issue is how such compact or anisotropic microstructures, and thus the shear strength, depend on…
Capping ligands are crucial to synthesize colloidal nanoparticles with novel functional properties. However, the interaction between capping ligands and their interaction with the crystallographic surfaces of nanoparticles during colloidal…
Whereas it is experimentally known that the inclusion of nanoparticles in hydrogels can lead to a mechanical reinforcement, a detailed molecular understanding of the adhesion mechanism is still lacking. Here we use coarse-grained molecular…
We use molecular dynamics computer simulations to study the equilibrium properties of the surface of amorphous silica. Two types of geometries are investigated: i) clusters with different diameters (13.5\AA, 19\AA, and 26.5\AA) and ii) a…
In this work, the dielectric behavior of water inside charged nanoslit of graphene is studied to analized the water molecules under electrical confinement; through polarizing the nanoslit of graphene, creating an electric field inside the…
We study the effect of volumetric constraints on the structure and electronic transport properties of distilled water in a nanopore with embedded electrodes. Combining classical molecular dynamics simulations with quantum scattering theory,…