Related papers: Encapsulation-Induced Alignment in Endofullerenes

Rigid, cage-like molecules, like diamondoids, show unique self-assembly behavior, such as templating 1-D nanomaterial assembly via pathways that are typically blocked for such bulky substituents. We investigate molecular forces between…

Biomolecules exhibit dynamic conformations critical to their functions, yet observing these processes at the single-molecule level under native conditions remains a formidable challenge. While surface immobilization has been widely used to…

Synthetic antiferromagnets offer a robust platform for stabilizing fractional topological textures, effectively circumventing the limitations of ferromagnetic systems. In this study, we utilize large-scale Monte Carlo simulations to…

Hypothesis: Generating multi-layer cargo using conventional methods is challenging. We hypothesize that incorporating a Y-junction compound droplet generator to encase a target core inside a second liquid can circumvent the kinetic energy…

The ability to directly follow and time resolve the rearrangement of the nuclei within molecules is a frontier of science that requires atomic spatial and few-femtosecond temporal resolutions. While laser induced electron diffraction can…

To study the compressional forces exerted by a bundle of living stiff filaments pressing on a surface, akin to the case of an actin bundle in filopodia structures, we have performed particulate Molecular Dynamics simulations of a grafted…

We computationally demonstrate a new method for coherently controlling the rotation-axis direction in asymmetric top molecules with an optical centrifuge. Appropriately chosen electric-field strengths and the centrifuge's acceleration rate…

The structural, electronic, and magnetic properties of Gd@C_82 endohedral metallofullerene have been studied by employing on-site correlation corrected, scalar-relativistic and full-relativistic density functional theory within the local…

Burning fossil fuels emits a significant amount of CO2, causing climate change concerns. CO2 Capture and Storage (CCS) aims to reduce emissions, with fullerenes showing promise as CO2 adsorbents. Recent research focuses on modifying…

Investigations of clathrate structures have gained a new impetus with the recent discovery of room-temperature superconductivity in metal hydrides. Here we report the finding, through density functional theory calculations, of a clathrate…

The current paper presents the second part of the study devoted to composites formed by fullerene C60 and single-walled carbon nanotube ([C60-(4,4)] carbon nanobud). The formation of composites is considered from the basic points related to…

A strong inhomogeneous static electric field is used to spatially disperse a supersonic beam of polar molecules, according to their quantum state. We show that the molecules residing in the lowest-lying rotational states can be selected and…

We present a scheme to categorize the structure of different layered phosphorene allotropes by mapping their non-planar atomic structure onto a two-color 2D triangular tiling pattern. In the buckled structure of a phosphorene monolayer, we…

The ground-state entanglement of a single particle of the N-harmonium system (i.e., a completely-integrable model of $N$ particles where both the confinement and the two-particle interaction are harmonic) is shown to be analytically…

Encapsulation protects functional layers, ensuring structural stability and improving the quality of assembled van der Waals heterostructures. Here, we develop a model that describes lattice relaxation in twisted bilayers accounting for…

Depletion-induced aggregation of rods enhanced by clustering is observed to produce a novel model of attractive pairs of rods separated by a line of spheres in a quasi-2D, vertically-shaken, granular gas of rods and spheres. We show that…

We predict that the collective excitations of an atomic array become entangled with the light of a high-finesse cavity mode when they are suitably coupled. This entanglement is of Einstein-Podolsky-Rosen type, it is robust against cavity…

We have studied the energy dependence of several first scattering phases with multi-atomic object. As concrete examples representing the general trends endohedrals Neon inside C60 and Argon inside C60 are considered. It appeared that the…

Interlayer rotation and stacking were recently demonstrated as effective strategies for tuning physical properties of various two-dimensional materials. The latter strategy was mostly realized in hetero-structures with continuously varied…

Cell adhesion proteins are transmembrane proteins that bind cells to their environment. These proteins typically cluster into disk-shaped or linear structures. Here we show that such clustering patterns spontaneously emerge when the protein…