Encouraged by recent advances in revealing significant effects of van der Waals wells on reaction dynamics, many people assume that van der Waals wells are inevitable in chemical reactions. Here we find that the weak long-range forces cause van der Waals saddles in the prototypical C(1D)+D2 complex-forming reaction that have very different dynamical effects from van der Waals wells at low colli...

All bodies are surrounded by a fluctuating electromagnetic field due to thermal and quantum fluctuations of the current density inside the bodies. This fluctuating field is responsible for many important phenomena such as the radiative heat transfer, the van der Waals interaction and the van der Waals friction between bodies. In contrast to the van der Waals interaction, for which theory is wel...

Articles you may be interested in Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions A simplified implementation of van der Waals density functionals for first-principles molecular dynamics applications J. Density, structure, and dynamics of water: The effect of van der Waals interactions van der Waals isomers and ionic reactivity of the cluste...

The nature of the physical interactions between Escherichia coli JM109 and a model surface (silicon nitride) was investigated in water via atomic force microscopy (AFM). AFM force measurements on bacteria can represent the combined effects of van der Waals and electrostatic forces, hydrogen bonding, steric interactions, and perhaps ligand-receptor type bonds. It can be difficult to decouple the...

in present study, thermo-elastic buckling analysis of multi-layer orthotropic annular/circular graphene sheets is investigated based on eringen’s theory. the moderately thick and also thick nano-plates are considered. using the non-local first and third order shear deformation theories, the governing equations are derived. the van der waals interaction between the layers is simulated for multi-...

Van der Waals heterostructure is formed by two-dimensional materials, which applications have become hot topics and received intensive exploration for fabricating without lattice mismatch. With the sustained decrease in dimensions of field effect transistors, van der Waals heterostructure plays an important role in improving the performance of devices because of its prominent electronic and opt...

In present study, thermo-elastic buckling analysis of multi-layer orthotropic annular/circular graphene sheets is investigated based on Eringen’s theory. The moderately thick and also thick nano-plates are considered. Using the non-local first and third order shear deformation theories, the governing equations are derived. The van der Waals interaction between the layers is simulated for multi-...

The energetic barriers that atoms and molecules often experience when binding to surfaces are incredibly important to a myriad of chemical and physical processes. However, these barriers are difficult to describe accurately with current computer simulation approaches. Two prominent contemporary challenges faced by simulation are the role of van der Waals forces and nuclear quantum effects. Here...

Integration of transition metal dichalcogenides (TMDs) into next-generation semiconductor platforms has been limited due to a lack of effective passivation techniques for defects in TMDs. The formation of an organic-inorganic van der Waals interface between a monolayer (ML) of titanyl phthalocyanine (TiOPc) and a ML of MoS2 is investigated as a defect passivation method. A strong negative charg...

We use scanning tunneling microscopy to visualize and thermal desorption spectroscopy to quantitatively measure that the binding of naphthalene molecules to graphene, a case of pure van der Waals interaction, strengthens with n and weakens with p doping of graphene. Density-functional theory calculations that include the van der Waals interaction in a seamless, ab initio way accurately reproduc...