In van der Waals bonded or rotationally disordered multilayer stacks of two-dimensional (2D) materials, the electronic states remain tightly confined within individual 2D layers. As a result, electron-phonon interactions occur primarily within layers and interlayer electrical conductivities are low. In addition, strong covalent in-plane intralayer bonding combined with weak van der Waals interl...

The behavior of 2-dimensional (2D) van der Waals (vdW) layered magnetic materials in the 2D limit few-layer thickness is an important fundamental issue for understanding ordering lower dimensions. antiferromagnetic transition temperature TN Heisenberg-type vdW material MnPS3 was estimated as a function number layers. identified by temperature-dependent Raman spectroscopy, from broadening phonon...

Abstract Throughout the years, strongly correlated coherent states of excitons have been subject intense theoretical and experimental studies. This topic has recently boomed due to new emerging quantum materials such as van der Waals (vdW) bound atomically thin layers transition metal dichalcogenides (TMDs). We analyze collective properties charged interlayer observed in bilayer TMD heterostruc...

Abstract Van der Waals (vdW) heterostructures composed of different two-dimensional (2D) materials offer an easily accessible way to combine properties individual for applications. Owing the discovery a set unanticipated physical phenomena, twisted 2D vdW have gained considerable attention recently. Here, we report enhanced valley splitting in WSe 2 /CrI 3 heterostructures. In particular, can b...

We evaluate the performance of different van der Waals (vdW) corrected density functional theory (DFT) methods in predicting the structure of perfect interfaces between the LiF(001), MgO(001), NiO(001) films on the Ag(001) surface and the resulting work function shift of Ag(001). The results demonstrate that including the van der Waals interaction is important for obtaining accurate interface s...

In this study, an impact behavior of spherical striker on a double-walled carbon nanotube (DWCNT) is presented based on a three degree of freedom spring-mass model and the finite element (FE) simulations. The semi-analytical solution of the transverse impact of a striker on a DWCNT is investigated by using the elasticity nonlocal theory of Euler-Bernoulli (EBT) and Timoshenko (TBT) nanobeams. T...

”Dispersion forces” [1], [2] are generally understood in the solid-state physics community to be that part of part of the non-covalent van der Waals (vdW) interaction that cannot be attributed to any permanent electric mono-or multipoles. (In the chemistry community, the whole of the non-chemically-bonded interaction is often termed the ”van der Waals” (vdW) interaction, but in the the physics ...

Accurate calculations of adsorption energies of cyclic molecules are of key importance in investigations of, e.g., hydrodesulfurization (HDS) catalysis. The present density functional theory (DFT) study of a set of important reactants, products, and inhibitors in HDS catalysis demonstrates that van der Waals interactions are essential for binding energies on MoS(2) surfaces and that DFT with a ...

Inductive micro-switch is an integrative device of a sensor and actuator and widely applied in all-opticalnetwork communication. Its malfunctions related to “fail-to-closure” and “transient-closure” result in low reliability and weak anti-jamming capability. A new bistable inductive micro-switch is presented based on micro electro-mechanical system (MEMS) technology. A sine rough surface model ...

Based on a statistical mechanics-based iterative method, we have extracted a set of distance-dependent, all-atom pairwise potentials for protein-ligand interactions from the crystal structures of 1300 protein-ligand complexes. The iterative method circumvents the long-standing reference state problem in knowledge-based scoring functions. The resulted scoring function, referred to as ITScore 2.0...