Abstract 2D van der Waals (vdW) magnets have opened intriguing prospects for next‐generation spintronic nanodevices. Machine learning techniques and density functional theory calculations enable the discovery of vdW to be accelerated; however, current computational frameworks based on these state‐of‐the‐art approaches cannot offer probability analysis whether a magnet can experimentally demonst...

In atom optics a material structure is commonly regarded as an amplitude mask for atom waves. However, atomic diffraction patterns formed using material gratings indicate that material structures also operate as phase masks. In this study a well collimated beam of sodium atoms is used to illuminate a silicon nitride grating with a period of 100 nm. During passage through the grating slots atoms...

Abstract Despite the van der Waals (vdW) surfaces are usually chemically inert, un‐destructive, scalable, and reversible redox reactions introduced on vdW of 2D anisotropic semiconductors ReX 2 (X = S or Se) facilitated by simple photochemistry. Ultraviolet (UV) light (with humid) laser exposure can reversibly oxidize reduce rhenium disulfide (ReS ) diselenide (ReSe ), respectively, yielding a ...

The dynamic instability of single-walled carbon nanotubes (SWCNT), double-walled carbon nanotubes (DWCNT) and triple-walled carbon nanotubes (TWCNT) embedded in an elastic medium under combined static and periodic axial loads are investigated using Floquet–Lyapunov theory. An elastic multiple-beam model is utilized where the nested slender nanotubes are coupled with each other through the van d...

The influence of a simple semiempirical van der Waals vdW correction on the description of dispersive, covalent, and ionic bonds within density functional theory is studied. The correction is based on the asymptotic London form of dispersive forces and a damping function for each pair of atoms. It thus depends solely on the properties of the two atoms irrespective of their environment and is nu...

Folding and unfolding processes are important for the functional capability of polypeptides and proteins. In contrast with a physiological environment (solvated or condensed phases), an in vacuo study provides well-defined "clean room" conditions to analyze the intramolecular interactions that largely control the structure, stability, and folding or unfolding dynamics. Here we show that a prope...

van der Waals (vdW) dispersion interactions are a key ingredient in the structure, stability, and response properties of many molecular materials and essential for us to be able to understand and design novel intricate molecular systems. Pairwise-additive models of vdW interactions are ubiquitous, but neglect their true quantum-mechanical many-body nature. In this perspective we focus on recent...

Van der Waals (vdW) layered crystals and heterostructures have attracted substantial interest for potential applications in a wide range of emerging technologies. An important, but often overlooked, consideration in the development of implementable devices is phonon transport through the structure interfaces. Here we report on the interface properties of exfoliated InSe on a sapphire substrate....

We study to what extent dielectric nanoparticles prefer to self-assemble into linear chains or into more compact structures. To calculate the Van der Waals (VdW) attraction between the clusters we use the Coupled Dipole Method (CDM), which treats each atom in the nanoparticle as an inducible oscillating point dipole. The VdW attraction then results from the full many-body interactions between t...

Formation of self-assembled chains of tetrathiafulvalene (TTF) on the Cu(100) surface has been investigated by scanning tunneling microscopy and density functional theory calculations that include semiempirical van der Waals (vdW) interaction corrections. The calculations show that the chain structures observed in the experiments can only be explained by including the vdW interactions. The mole...