相关论文: Pair and Many-body Interactions Between Ligated Au…
We present a computational study for the equilibrium shape of gold nanoparticles. By linking extensive quantum-mechanical calculations, based on Density-Functional Theory (DFT) to Wulff construction, we predict equilibrium shapes that are…
In this paper we report a simple one step and one-pot synthesis of stable assembly of Au nanoparticles (diameter 8-10nm) into chains in an Ethylene Glycol medium, using only a solid metallic Au target and a pulsed excimer laser…
We study the dipole formation at the surface formed by -CH3 and -CF3 terminated shortchain alkyl-thiolate monolayers on Au(111). In particular, we monitor the change in work function upon chemisorption using density functional theory…
Early results on the plasma deposition of dielectric thin films on acoustic wave (AW) activated substrates revealed a densification pattern arisen from the focusing of plasma ions and their impact on specific areas of the piezoelectric…
We construct a boundary integral representation for the low-Reynolds-number flow in a channel in the presence of freely-suspended particles (or droplets) of arbitrary size and shape. We demonstrate that lubrication theory holds away from…
In the present work, the atomic and the electronic structures of Au3N, AuN and AuN2 are investigated using first-principles density-functional theory (DFT). We studied cohesive energy vs. volume data for a wide range of possible structures…
Nanoparticles (NPs) which combine several magnetic phases offer wide perspectives for cutting edge applications because of the high modularity of their magnetic properties. Besides the addition of the magnetic characteristics intrinsic to…
From a structural point of view, plasmonic nanoparticles are always at least two-layer structures with a dielectric layer of stabilizing, targeting, fluorescent, Raman, or other functional molecules. To optimize the optical properties of…
We investigate how the competing presence of a nonuniform motility landscape and an external confining field affects the properties of active particles. We employ the active Ornstein-Uhlenbeck particle (AOUP) model with a periodic swim…
Steady-state pair correlations between inelastic granular beads in a vertically shaken, quasi two-dimensional cell can be mapped onto the particle correlations in a truly two-dimensional reference fluid in thermodynamic equilibrium. Using…
Numerical calculations of the average dipole-coupling energy $\bar E_\mathrm{dip}$ in two-dimensional disordered magnetic nanostructures are performed as function of the particle coverage $C$. We observe that $\bar E_\mathrm{dip}$ scales as…
When irradiation is performed with gold nanoparticles (AuNPs), a different shape of cells in suspension or adherent to walls may result in different probability of cell survival. In a recent study, differences of up to a factor of 2 were…
New insights into controlling nanowire merging phenomena are demonstrated in growth of thin ZnO nanowires using monodispersed Au colloidal nanoparticles as catalyst. Both nanowire diameter and density were found to be strongly dependent on…
Three-body forces acting on a $\Lambda$ hyperon in a nuclear medium are investigated, with special focus on the so-called hyperon puzzle in neutron stars. The hyperon-nucleon two-body interaction deduced from SU(3) chiral effective field…
We use a coarse-grained molecular dynamics simulation to investigate the interaction between neutral or charged nanoparticles (NPs) and a vesicle consisting of neutral and negatively charged lipids. We focus on the interaction strengths of…
We present a theory of effective electrostatic interactions in polydisperse suspensions of charged macroions, generalizing to mixtures a theory previously developed for monodisperse suspensions. Combining linear response theory with a…
The energetics and structures of physisorbed and chemisorbed alkanethiols on Au(111) have been systematically investigated up to 10 carbon atoms using van der Waals (vdW) corrected density functional theory (DFT) calculations. The role of…
Engineered biomedical nanoparticles (NP) administered via intravenous routes are prone to associate to serum proteins. The protein corona can mask the NP surface functionalization and hamper the delivery of the NP to its biological target.…
The interaction between macroscopic fluid flow and nanoscale forces has resulted in the formation of long-range assemblies through evaporation-induced self-assembly. Anisotropic gold nanorods (AuNR) can form disordered, smectic, or…
The structural properties of the uranium-encapsulated nano-cage U@Au14 are predicted using density functional theory. The presence of the uranium atom makes the Au14 structure more stable than the empty Au14-cage, with a triplet ground…