Related papers: Size and confinement effect on nanostructures
We report spontaneous symmetry breaking (SSB) phenomena in symmetrically charged binary particle systems under planar nanoconfinement with negative dielectric constants.The SSB is triggered $solely$ via the dielectric confinement effect,…
Ionic liquids constrained at interfaces or restricted in subnanometric pores are increasingly employed in modern technologies, including energy applications. Understanding the details of their behavior in these conditions is therefore…
Motivated by often contradictory literature reports on size dependence of surface energy of gold nanoparticles, we performed an atomistic study combining molecular dynamics and \textit{ab initio} calculations. We show that in the case of Au…
Ion specificity and related Hofmeister effects, ubiquitous in aqueous systems, can have spectacular consequences in hydrated clays, where ion-specific nanoscale surface forces can determine large scale cohesive, swelling and shrinkage…
Based on the helical and rotational symmetries and Tersoff-Brenner potential with couple of modified parameters, we investigate the variation of bond length/lengths in equilibrium structure due to tube length as well as due to applied…
On the basis of density functional calculations and using Bader's atom in molecule theory, this article presents quantitative microscopic analyses on the bonding properties of amorphous silicon (a-Si) which could reflect in the observable…
Nanoscale polymeric thin films are widely used in diverse applications such as energy devices, flexible electronics and biosensors, where a satisfactory mechanical performance is of vital importance to realize their full functionality. It…
The interplay between intra-molecular H-O covalent bond contraction, due to molecular under-coordination, and inter-molecular O:H expansion, due to inter-electron pair Coulomb repulsion, has been shown to be the source of the anomalous…
We present a study of the elastic and plastic behavior of nanoporous gold in compression, focusing on molecular dynamics simulation and inspecting experimental data for verification. Both approaches agree on an anomalously high elastic…
Assemblies of closely separated gold nanoparticles exhibit a strong collective plasmonic response due to coupling of the plasmon modes of the individual nanostructures. In the context of self-assembly of nanoparticles, closed packed 2D…
Understanding and ultimately controlling the transformations and properties of nanoscale systems, from proteins to synthetic nanomaterial assemblies, is limited by the inability to uncover their dynamics on their characteristic length and…
According to the hydrodynamic Drude model, surface-plasmon resonances of metallic nanostructures blueshift owing to the nonlocal response of the metal's electron gas. The screening length characterising the nonlocal effect is often small…
The mechanical properties of amorphous solids like metallic glasses can be dramatically changed by adding small concentrations (as low as 0.1\%) of foreign elements. The glass-forming-ability, the ductility, the yield stress and the elastic…
A powerful technique is introduced for simulating mechanical and electromechanical properties of one-dimensional nanostructures under arbitrary combinations of bending, twisting, and stretching. The technique is based on a novel control of…
Surface and size effect on the order parameter fluctuations and critical phenomena in the intensively studied 3D-confined nanosized systems with long-range order was not considered theoretically, while the calculations for bulk samples and…
In this paper, the effects of changes in Sol concentration on the structural and optical properties of SnO2 Nanoparticles are studied through the Sol-Gel method. SnO2 Nanoparticles are produced from different SnO2 solution concentrations…
Amorphous boron nitride (\textrm{$\alpha$}-BN) is a promising ultrathin barrier for nanoelectronics, yet the atomistic mechanisms governing its chemical stability remain poorly understood. Here, we investigate the structure-property…
Disordered forms of carbon are an important class of materials for applications such as thermal management. However, a comprehensive theoretical understanding of the structural dependence of thermal transport and the underlying microscopic…
Annealing has been extensively used to control crystal growth and physical properties of materials with unfortunately unclear mechanism and quantitative correlations. Here we present the "annealing temperature - grain size - band gap"…
Incorporating the bond-order-length-strength correlation mechanism [Sun CQ, Prog Solid State Chem 35, 1 -159 (2007)] and Borns criterion for melting [J. Chem. Phys. 7, 591(1939)] into the conventional Hall-Petch relationship has turned out…