Motivated by recent drop-drying experiments of Au nanoparticle (NP) island self-assembly, we investigate the structure, diffusion, and binding of dodecanethiol-coated Au NPs adsorbed at the toluene-vapor interface using molecular dynamics (MD) simulations as well as analytical calculations. For a 6 nm core diameter NP our results indicate the existence of significant intermixing between the lig...

Among the intermolecular interactions, the Casimir and van der Waals forces are the most important forces that highly affect the behavior of nanostructures. This paper studies the effect of such forces on the adhesion of cantilever freestanding nanostructures. The nanostructures are made of a freestanding nano-beam which is suspended between two upper and lower conductive surfaces. The linear s...

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...

• Remarks and observations: (1) The tail of the van der Waals attractive potential (∝ r) extends to very long sep­ arations. Yet, its integral in eq.(V.39) is dominated by contributions from the short scales r0. In this limited context, the van der Waals potential is short-ranged, and results in corrections to the ideal gas behavior that are analytical in density n, leading to the virial series...