Related papers: Quantitative size-dependent structure and strain d…
The structural evolution and dynamics of silver nanodrops Ag${}_{2896}$ (4.4 nm in diameter) during rapid cooling conditions has been studied by means of molecular dynamics simulations and electronic density of state calculations. The…
We study the three-dimensional structure formation when atoms are deposited onto a substrate with a decagonal quasicrystalline order. Molecular-dynamicscalculations show that the adsorbate layer consists of ordered nano-scale domains with…
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…
An experimental determination of the magnetic pair distribution function (mPDF) defined in an earlier paper (Frandsen, Yang, and Billinge. (2014) Acta Crystallogr. A, 70(1), 3-11) is presented for the first time. The mPDF was determined…
We present first-principles calculations on bulk CdSe and CdSe nanowires with diameters of up to 22 \AA. Density functional linear combination of atomic orbitals and plane wave calculations of the electronic and structural properties are…
Considering the increasing number of experimental results in the manufacturing process of quantum dots with different geometries, and the fact that most numerical methods that can be used to investigate quantum dots with non-trivial…
A number of metal-based nanopowders such kinds as Fe, Co, Fe/Co alloy, Fe/C, Fe/organic shell were successfully produced by aerosol synthesis method. The mechanism of nanoparticles formation and the influence of experimental parameters on…
In frameworks of the scaling theory of phase transitions and critical phenomena the quantitative dependence of macroscopic properties on nanostructural parameters in a polymeric material is revealed. The draw ratios at neck and at break are…
Atomic packing is an important metric for characterizing protein structures, as it significantly influences various features including the stability, the rate of evolution and the functional roles of proteins. Packing in protein structures…
We report the effects of variation in length on the electronic structure of CdSe nanorods derived from atomic clusters and passivated by fictitious hydrogen atoms. These nanorods are augmented by attaching gold clusters at both the ends to…
Classical nucleation theory predicts size-dependent nucleation and melting due to surface and confinement effects at the nanoscale. In correlated electronic states, observation of size-dependent nucleation and melting is rarely reported,…
We report on a systematic study of the Cd, Zn, Se, and S elemental distributions across the interfaces in CdSe/Cd1-xZnxS core-shell and CdSe/CdS/Cd1-xZnxS core-crown-shell quantum wells with the CdSe core thickness ranging from 3.5 to 5.5…
Targeting specific technological applications requires the control of nanoparticle properties, especially the crystalline polymorph. Freezing a nanodroplet deposited on a solid substrate leads to the formation of crystalline structures. We…
Nanoporous capsules have been the subject of intense investigation in the field of drug delivery. One of the essential properties of such particles, which requires characterization, is their structure. Many experimental techniques have been…
Macroscopic ensembles of nanocarbons, such as fibres of carbon nanotubes (CNT), are characterised by a complex hierarchical structure combining coherent crystalline regions with a large porosity arising from imperfect packing of the large…
The non-specific adhesion of spherical particles to a cell substrate is analyzed in a parallel plate flow chamber, addressing the effect of the particle size. Differently from other experiments, the total volume of the injected particles…
The atomistic structure of metallic glasses is closely related to properties such as strength and ductility. Here, Ni1-xBx metallic glass nanoparticles of two different sizes are compressed under quasi-hydrostatic high-pressure conditions…
The equation for the size strain plot methods reported by A. Khorsand Zak et al. (Solid State Sci. 13 (2011), 251) does not follow the dimensional homogeneity, consequently leading to an inaccurate estimation of the crystallite size and…
The local variation in inter-atomic distances, or local lattice strain often influences significantly material properties of nanoparticles. Strain measurement with ~1% precision is provided by recent atomic-resolution electron microscopy.…
Parton distribution function (PDF) at small $x$ in a fast-moving proton is investigated within an upgraded parton model that includes parton splitting with branching cascades and parton fusion. In the region of moderately small $x$, we…