相关论文: Tuning Elastic Properties of Metallic Nanoparticle…
Most of the applications of the nano structures dependent on the morphology which affects the opto electronics properties. This research article provides a pathway of guiding optical properties like band-gap and fluorescence properties by…
We present a numerical approach to calculate inelastic light scattering spectra from gold nanocrystals, based on the finite element method. This approach is validated by comparison with previous analytic calculations for spherically…
Friction between ordered, atomically smooth surfaces at the nanoscale (nanofriction) is often governed by stick-slip processes. To test long-standing atomistic models of such processes, we implement a synthetic nanofriction interface…
Understanding the oxidation and reduction mechanisms of catalytically active transition metal nanoparticles is important to improve their application in a variety of chemical processes. In nanocatalysis the nanoparticles can undergo…
Internal optical forces emerging from plasmonic interactions in gold nanodisc, nanocube and nanobar dimers were studied by finite element method. A direct correlation between the electric-field enhancement and optical forces was found by…
We study the linewidth of the surface plasmon resonance in the optical absorption spectrum of metallic nanoparticles, when the decay into electron-hole pairs is the dominant channel. Within a semiclassical approach, we find that the…
In recent years, certain molecular crystals have been reported to possess surprising flexibility by undergoing significant elastic or plastic deformation in response to mechanical loads. However, despite this experimental evidence, there…
The physical gelation of colloids produces elastic structures that are commonly used to stabilize complex fluids in multiple industries. However, the ability to control the level of elastic modulus of these materials is limited by the…
In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…
We introduce a computational approach to estimate the hardness and stiffness of diamond surfaces and nanoparticles by studying their elastic response to atomic nanoindentation. Results of our ab initio density functional calculations…
In this work we introduce an effective approach to quantize the electromagnetic response of plasmonic metallic nanostructures. Their shape is arbitrary and they feature a realistic description of the frequency-dependent metal dielectric…
Atomistic modelling of magnetic materials provides unprecedented detail about the underlying physical processes that govern their macroscopic properties, and allows the simulation of complex effects such as surface anisotropy, ultrafast…
Shape measurement of rod-shaped particles in fluids is an outstanding challenge with applications in characterising synthetic functional nanoparticles and in early warning detection of rod-shaped pathogens in water supplies. However, it is…
Molecular dynamic simulations are used to study the heating of a gold nanorod of 2624 atoms. We show that roughening of surface {110} facets leads to a shape transformation and structural rearrangement of surface and bulk atoms in the rod,…
Using Landau-Ginzburg-Devonshire theory and effective medium approximation, we analytically calculate typical dependences of the pyroelectric and electrocaloric coefficients on external electric field, temperature and radius for spherical…
The structural control of silicon nanocrystals is an important technological problem. Typically a distribution of nanocrystal sizes and shapes emerges under the uncontrolled aggregation of smaller clusters. The aim of this computational…
We assess the potentiality of several geometries of metallic nanodimers (one of the simplest thermoplasmonic systems) as candidates for active particles (nanoswimmers) propelled and controlled by light (phototaxis). The studied nanodimers…
In the realm of colloidal nanostructures, with its immense capacity for shape and dimensionality control, the form is undoubtedly a driving factor for the tunability of optical and electrical properties in semiconducting or metallic…
Structures involving solid particles of nanometric dimensions play an increasingly important role in material sciences. These structures are often characterized through the vibrational properties of their constituent particles, which can be…
A smooth sphere-to-cube transition is experimentally, computationally and theoretically studied in plasmonic Au nanoparticles, including retardation effects. Localized surface plasmon-polariton resonances were described with precision,…