Related papers: Ionic effects in self-propelled Pt-coated Janus sw…
We investigate the modification of gas phase ion polarizabilities upon solvation in polar solvents and ionic liquids. To this aim, we develop a classical electrostatic theory of charged liquids composed of solvent molecules modeled as…
Light-activated self-propelled colloids are synthesized and their active motion is studied using optical microscopy. We propose a versatile route using different photoactive materials, and demonstrate a multiwavelength activation and…
Individual self-propelled colloidal particles, like active Brownian particles (ABP) or run-and-tumble swimmers (RT), exhibit characteristic and well-known motion patterns. However, their interaction with obstacles remains an open and…
High-performance osmotic energy conversion requires both large ionic throughput and high ionic selectivity, which can be significantly promoted by exterior surface charges simultaneously, especially for short nanopores. Here, we investigate…
We report a molecular dynamics (MD) simulation study of reverse osmosis desalination using nanoporous monolayer graphene passivated by SiH$_2$ and Si(OH)$_2$ functional groups. A highly accurate and detailed polarizable molecular mechanics…
A longstanding goal in colloidal active matter is to understand how gradients in fuel concentration influence the motion of phoretic Janus particles. Here, we present a theoretical description of the motion of a spherical phoretic Janus…
Diffusiophoresis is the spontaneous motion of particles under gradients of solutes. In electrolyte-driven diffusiophoresis, the zeta potential of the particles is an important surface property that characterizes diffusiophoretic mobility.…
We study theoretically the effects of spatial confinement on the phoretic motion of a dissolved particle driven by composition gradients generated by chemical reactions of its solvent, which are active only on certain parts of the particle…
The interactions of autonomous microswimmers play an important role for the formation of collective states of motile active matter. We study them in detail for the common microswimmer-design of two-faced Janus spheres with hemispheres made…
We report the ion transport mechanisms in succinonitrile (SN) loaded solid polymer electrolytes containing polyethylene oxide (PEO) and dissolved lithium bis(trifluoromethane)sulphonamide (LiTFSI) salt using molecular dynamics simulations.…
Breaking spatial symmetry is an essential requirement for phoretic active particles to swim at low Reynolds number. This fundamental prerequisite for swimming at the micro-scale is fulfilled either by chemical patterning of the surface of…
Substitutional doping with transition metals is carried out in the Lepidocrocite phase - the stable monolayer geometry of TiO$_2$, using density functional theory (DFT) methods. The doping is carried out at the differently coordinated O…
The performance of gold nanoparticles (NPs) in applications depends critically on the structure of the NP-solvent interface, at which the electrostatic surface polarization is one of the key characteristics that affects hydration, ionic…
We theoretically study the active motion of self-diffusiophoretic Janus particles (JPs) using the Onsager-Casimir reciprocal relations. The linear and angular velocity of a single JP are shown to respectively result from a coupling of…
The ability to induce regions of high and low ionic concentration adjacent to a permeselective membrane or nanochannel subject to an externally applied electric field (a phenomenon termed concentration-polarization) has been used for a…
We use large hybrid (kinetic protons-fluid electrons) simulations to investigate the transport of energetic particles in self-consistent electromagnetic configurations of collisionless shocks. In previous papers of this series, we showed…
In living cells, molecular motors create activity that enhances the diffusion of particles throughout the cytoplasm, and not just ones attached to the motors. We demonstrate initial steps toward creating artificial cells that mimic this…
Self-propelled colloids constitute an important class of intrinsically non-equilibrium matter. Typically, such a particle moves ballistically at short times, but eventually changes its orientation, and displays random-walk behavior in the…
A highly-charged spherical colloid in a salt-free environment exerts such a powerful attraction on its counterions that a certain fraction condenses onto the surface of a particle. The degree of condensation depends on the curvature of the…
Active drops emit/absorb chemical solutes, whose concentration gradients cause interfacial flows driving their own transport and the propulsion of the droplet. Such non-linear coupling enables active drops to achieve directed…