Related papers: Encapsulation-Induced Alignment in Endofullerenes
The orientational correlation scheme introduced earlier for tetrahedral molecules is extended for being able to classify orientational correlations between pairs of high symmetry molecules. While in the original algorithm a given…
Rotation of molecules embedded in He nanodroplets is explored by a combination of fs laser-induced alignment experiments and angulon quasiparticle theory. We demonstrate that at low fluence of the fs alignment pulse, the molecule and its…
This article is a continuation of the recent paper [Grohs, Intrinsic localization of anisotropic frames, ACHA, 2013], where off-diagonal-decay properties (often referred to as 'localization' in the literature) of Moore-Penrose…
Intercalation is a process of inserting chemical species into the heterointerfaces of two-dimensional (2D) layered materials. While much research has focused on intercalating metals and small gas molecules into graphene, the intercalation…
In the last decade, researchers and medical device companies have made major advances towards transforming passive capsule endoscopes into active medical robots. One of the major challenges is to endow capsule robots with accurate…
We present a density-functional (DF) study of structures of Si cage clusters that encapsulate metal atoms. As a prototypical example, the case of WSi$_{n}$ clusters is shown. To obtain the low-energy clusters in efficient and unbiased ways,…
Cells attach to their environment by means of focal adhesions, which are molecular complexes that exhibit the remarkable ability to adapt to mechanical load by changing their size. Drawing from the biomolecular mechanisms underlying this…
We present a paradigm in constructing very stable, faceted nanotube and fullerene structures by laterally joining nanoribbons or patches of different planar phosphorene phases. Our ab initio density functional calculations indicate that…
The discovery of the C60 fullerene opened new horizons to design carbon nanostructures with targeted electronic structure as well as transport and optical properties. For example, endohedral 12C60 molecules were proposed as candidates for…
We study a single two-level atom interacting with a reservoir of modes defined by a reservoir structure function with a frequency gap. Using the pseudomodes technique, we derive the main features of a trapping state formed in the weak…
Transformation of graphene flakes to fullerenes assisted by Ni clusters is investigated using molecular dynamics simulations. The bond-order potential for Ni-C systems is developed. The potential reproduces the experimental and…
Structures formed by fused filament fabrication are often substantially weaker than those made with conventional techniques, and fail at the welds between successive layers. One factor that may influence strength is flow-induced alignment…
We have calculated partial contributions of different endohedral and atomic subshells to the total dipole sum rule in the frame of the random phase approximation with exchange (RPAE) and found that they are essentially different from the…
We present the molecular dynamics study of benzene molecules confined into the single wall carbon nanotube. The local structure and orientational ordering of benzene molecules are investigated. It is found that the molecules mostly group in…
The self-assembly mechanism of one-end-open carbon nanotubes (CNTs) suspended in an aqueous solution was studied by molecular dynamics simulations. It was shown that two one-end-open CNTs with different diameters can coaxially self-assemble…
We experimentally observe the action of multiple light pulses on the transverse motion of a continuous beam of fullerenes. The light potential is generated by non-resonant ultra-short laser pulses in perpendicular spatial overlap with the…
We reveal peculiarities of the trapped (dark) mode excitation in a polarization-insensitive all-dielectric metasurface, whose unit super-cell is constructed by particularly arranging four cylindrical dielectric particles. Involving…
In the present study we probe the bulk modulus and the structure of concentrated magnetic fluids by Small Angle X-ray Scattering. The electrostatically stabilized nanoparticles experience a repulsive interparticle potential modulated by…
Our ability to understand and tailor metal-organic interfaces is mandatory to functionalize organic complexes for next generation electronic and spintronic devices. For magnetic data storage applications, metal-carrying organic molecules,…
Building on recent advances of the embedded cluster approach combined with multiconfigurational theory, this work investigates the electronic states in thorium-doped CaF2 crystals. Th:CaF2 is currently establishing as a promising material…