We demonstrate near-unity, broadband absorbing optoelectronic devices using sub-15 nm thick transition metal dichalcogenides (TMDCs) of molybdenum and tungsten as van der Waals semiconductor active layers. Specifically, we report that near-unity light absorption is possible in extremely thin (<15 nm) van der Waals semiconductor structures by coupling to strongly damped optical modes of semicond...

A time-dependent three-dimensional nonadiabatic computation study of the photodissociation of the van der Waals Na FH molecule was performed for total J 1⁄4 0. A very low probability of photo-reaction to produce NaF+H was observed from most initial conditions. Enhancement of the NaF+H product was observed for the isotopically substituted Na FD. The three-dimensional calculations are in qualitat...

We present a comprehensive benchmark study of the adsorption energy of a single water molecule on the (001) LiH surface using periodic coupled cluster and quantum Monte Carlo theories. We benchmark and compare different implementations of quantum chemical wave function based theories in order to verify the reliability of the predicted adsorption energies and the employed approximations. Further...

We have used laser ablation and helium buffer-gas cooling to produce titanium-helium van der Waals molecules at cryogenic temperatures. The molecules were detected through laser-induced fluorescence spectroscopy. Ground-state Ti(a^{3}F_{2})-He binding energies were determined for the ground and first rotationally excited states from studying equilibrium thermodynamic properties, and found to ag...

We present a new type of the Hamiltonian replica-exchange method, where the van der Waals radius parameter and not the temperature is exchanged. By decreasing the van der Waals radii, which control spatial sizes of atoms, this Hamiltonian replica-exchange method overcomes the steric restrictions and energy barriers. Furthermore, the simulation based on this method escapes from the local-minimum...

The peridynamic method is used here to analyse the effect of van der Waals forces on the mechanical behaviour and strength and toughness properties of three-dimensional nanofibre networks under imposed stretch deformation. The peridynamic formulation allows for a natural inclusion of long-range forces (such as van der Waals forces) by considering all interactions as ‘long-range’. We use van der...

In this article, we are interested in the simulation of phase transition in compressible flows, with the isothermal Euler system, closed by the van-der-Waals model. We formulate the problem as an hyperbolic system, with a source term located at the interface between liquid and vapour. The numerical scheme is based on [1, 5]. Compared with previous discretizations of the van-der-Waals system, th...