相关论文: Pair and Many-body Interactions Between Ligated Au…

We utilize a multiscale modeling framework to study the effect of shape, size and ligand composition on the efficacy of binding of a ligand-coated-particle to a substrate functionalized with the target receptors. First, we show how…

Nanoparticle gels have attracted considerable attention due to their highly tunable properties. One strategy for producing nanoparticle gels involves using strong local attractions between polymeric molecules, such as DNA hybridization or…

Inorganic nanoparticle cores are often coated with organic ligands to render them dispersible in apolar solvents. However, the effect of the ligand shell on the colloidal stability of the overall hybrid particle is not fully understood. In…

NPs are ultrafine-grain crystal or amorphous substances which are as small as 100nm. They have unique physical, chemical and mechanical properties, which are very different from those of large scale materials. This uniqueness is attributed…

The full potential all electron linearized augmented plane wave plus local orbitals (FP-LAPW + lo) method, as implemented in the suite of software WIEN2K, has been used to systematically investigate the structural, electronic, and magnetic…

Electrical resistivity in good metals, particularly noble metals such as gold (Au), silver (Ag), or copper, increases linearly with temperature ($T$) for $T > \Theta_{\mathrm{D}}$, where $\Theta_{\mathrm{D}}$ is the Debye temperature. This…

Hexagonally arranged Au nano particles (NPs) exhibiting a broad size distribution ranging from 30 nm to 80 nm with a Gaussian shape were deposited on Si substrates and irradiated with Ar+ and Ga+ ions with various energies from 20 to 350…

Molecules with versatile functionalities and well-defined structures, can serve as building blocks for extreme nanoscale devices. This requires their precise integration into functional heterojunctions, most commonly in the form of…

We use molecular dynamics simulations in 2d to study multi-component fluid in the limiting case where {\it all the particles are different} (APD). The particles are assumed to interact via Lennard-Jones (LJ) potentials, with identical size…

Having a detailed theoretical knowledge of the low-energy structure of the heavy odd-mass nucleus $^{197}$Au is of prime interest as the structure of this isotope represents an important input to theoretical simulations of collider…

Electrostatic interaction is the driving force for the encapsulation by virus coat proteins of nanoparticles such as quantum dots, gold particles and magnetic beads for, e.g., imaging and therapeutic purposes. In recent experimental work,…

Metal-organic hybrid structures have been demonstrated a versatile platform to study primary aspects of light-matter interaction by means of emerging states comprising excitonic and plasmonic properties. Here we are studying the wave-vector…

Long-range interactions often proceed as a sequence of hopping through intermediate, statistically-favored events. Here, we identify a widely-overlooked mechanism for the mechanical motion of particles that arises from the Lorentz force and…

We present a study of three-particle correlations among a trigger particle and two associated particles in Au + Au collisions at $\sqrt{s_{NN}}$ = 200 GeV using a multi-phase transport model (AMPT) with both partonic and hadronic…

Apart from the fact that nitroaromatic compounds (NARs) have toxic and mutagenic characteristics, they are also essential substrates for the synthesis of aromatic amines (AAMs). In this context, the present study presents a new approach…

Using density functional theory, we investigate the electronic structure of the alpha phase of an antimony monolayer in its isolated form and in contact to the (111) surface of gold. We demonstrate that the isolated single-layer actually…

We present the centrality dependent measurement of multiplicity and pseudorapidity distributions of charged particles and photons in Au + Au collisions at sqrt{s_NN} = 62.4 GeV. The charged particles and photons are measured in the…

The impact of nanomaterials on lung fluids or on the plasma membrane of living cells has prompted researchers to examine the interactions between nanoparticles and lipid vesicles. Recent studies have shown that nanoparticle-lipid…

Metallic colloids are frequently used in industry and provide understanding of science at microns to nanometers scales along with their applicability for various technologically important applications. Present investigations deal…

We use molecular dynamics (MD) to simulate an unstable homogeneous mixture of binary fluids (AB), confined in a slit pore of width $D$. The pore walls are assumed to be flat and structureless, and attract one component of the mixture (A)…