Polysilane Organogel with Hierarchical Structures Formed by Weak Intra-/Inter-chain Si/FC and van der Waals Interactions

Van der Waals interactions with soft interfaces

Many naturally occurring microbiological and synthetic polymer systems have soft interfaces due, e.g., to the presence of polymer brushes at the surfaces. The initial interactions (before contact) in such systems are typically physical rather than chemical in origin, e.g. electrostatic or van der Waals forces. We calculate the form of the summed van der Waals interaction energies UHS and USS be...

Tutorial 3: van der Waals Interactions

van der Waals interactions across stratified media.

Working at the Lifshitz level, we investigate the van der Waals interactions across a series of layers with a periodic motif. We derive the complete form of the van der Waals interaction as an explicit function of the number of periodic layers. We then compare our result with an approximation based on an anisotropic-continuum representation of the stratified medium. Satisfactory agreement betwe...

Van der Waals interactions in ionic and semiconductor solids.

van der Waals (vdW) energy corrected density-functional theory [Phys. Rev. Lett. 102, 073005 (2009)] is applied to study the cohesive properties of ionic and semiconductor solids (C, Si, Ge, GaAs, NaCl, and MgO). The required polarizability and dispersion coefficients are calculated using the dielectric function obtained from time-dependent density-functional theory. Coefficients for "atoms in ...

Bond paths and van der Waals interactions in orpiment, As2S3.

The calculated electron density distribution for orpiment, As(2)S(3), reveals that As-S, S-S, and As-As bond paths are associated with the experimental interlayer directed bonded interactions detected in a combined infrared and Raman study. The successful modeling of the infrared- and Raman-determined interlayer bonded interactions together with bond paths and the structuralization of a variety...