相关论文: Quantum confinement in CdSe nanocrystallites
Sodium atoms and clusters (N<5) on graphite (0001) are studied using density functional theory, pseudopotentials and periodic boundary conditions. A single Na atom is observed to bind at a hollow site 2.45 A above the surface with an…
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…
The onset of quartetting, i.e. alpha-particle condensation, in symmetric nuclear matter is studied with the help of an in-medium modified four nucleon equation. It is found that at very low density quartetting wins over pairing, because of…
Spatial confinement in nanoporous media affects the structure, thermodynamics and mobility of molecular soft matter often markedly. This article reviews thermodynamic equilibrium phenomena, such as physisorption, capillary condensation,…
In this paper we report the structural and property (magnetic and electrical transport) measurements of nanocrystals of half-doped $\mathrm{La_{0.5}Ca_{0.5}MnO_3}$(LCMO) synthesized by chemical route, having particle size down to an average…
In the recent years many examples appeared in the literature where the configuration entropy (CE), introduced by Gleiser and Stamatopoulos, plays the role of an indicator of stability of physical systems. It was observed that, comparing…
Structure and superfluid response of nanoscale size helium-four clusters enclosed in spherical cavities are studied by computer simulations. The curved surface causes the formation of well-defined concentric shells, thus imparting to the…
The size-dependent structures and optical properties of CdSeS nanoclusters in water medium are investigated. The stability of different size-dependent Cd$_n$Se$_m$S$_p$ nanoclusters (up to n=6) is studied using density functional…
We study the energy spectrum of atoms trapped in a vertical 1D optical lattice in close proximity to a reflective surface. We propose an effective model to describe the interaction between the atoms and the surface at any distance. Our…
The bending energy of any freely deformable closed surface is quadratic in its curvature. In the absence of constraints, it will be minimized when the surface adopts the form of a round sphere. If the surface is confined within a…
Size-invariant shape transformation gives rise to the so-called quantum shape effect in strongly confined systems. While quantum size and shape effects are often thought to be difficult to distinguish because of their coexistence, it is…
Metal oxide nanostructures are widely used in energy applications like super capacitors and Li-on battery. Smaller size nanocrystals show better stability, low ion diffusion time, higher-ion flux and low pulverization than bigger size…
Segregation at surfaces of metal-covalent binary liquids is often non-classical and in extreme cases such as AuSi, the surface crystallizes above the melting point. In this study, we employ atomic-scale computational frameworks to study the…
Quantum simulators hold the promise of probing central questions of high-energy physics in tunable condensed matter platforms, for instance the physics of confinement. Local defects can be an obstacle in these setups harming their…
We address the issue of bound state in the two-nucleon system in lattice QCD with the quenched approximation at the lattice spacing of a =0.128 fm using a heavy quark mass corresponding to m_pi = 0.8 GeV. To distinguish a bound state from…
We report here investigations on the instability in luminescence of bare (TOPO-stabilized) and CdS- capped CdSe particles under infrared radiation. During photo-thermal annealing the formation of oxide layers on the surfaces of the…
Crystal growth and crystal coalescence processes in supercooled systems strongly depend on the concentration of crystallization centers. We perform atomistic dynamics simulations of the crystallization process in the ultrathin metallic film…
Low-dimensional ice trapped in nanocapillaries is a fascinating phenomenon and is ubiquitous in our daily lives. As a decisive factor of the confinement effect, the size of nanocapillary significantly affects the critical crystallization…
We show theoretically that carriers confined in semiconductor colloidal nanoplatelets (NPLs) sense the presence of neighbor, cofacially stacked NPLs in their energy spectrum. When approaching identical NPLs, the otherwise degenerate energy…
Nucleation in small volumes of water has garnered renewed interest due to the relevance of pore condensation and freezing under conditions of low partial pressures of water, such as in the upper troposphere. Molecular simulations can in…