We propose that chemically inert polymeric films can enhance van der Waals (vdW) forces in the same way as nanofabrication of biomimetic adhesive materials. For the vdW adhesion of an ethylene-chlorotrifluoroethylene (ECTFE) film on rough metal and dielectric substrates, we present a model that combines microscopic quantum-chemistry simulations of the polymer response functions and the equilibr...

We investigate the adsorption process of an organic biomolecule (chitosan) on epoxy-functionalized graphene using ab-initio density functional methods incorporating van-der-waals (vdW) interactions. The role of London dispersion force on the cohesive energy and conformal preference of the molecule is quantitatively elucidated. Functionalizing graphene with epoxy leads to weak hydrogen-bond inte...

A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in condensed matter, materials physics, chemistry, and biology is reviewed. The insights that led to the construction of the Rutgers-Chalmers van der Waals density functional (vdW-DF) are presented with the aim of giving a historical perspective, while also emphasizing more recent efforts which have sought to i...

A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in condensed matter, materials physics, chemistry, and biology is reviewed. The insights that led to the construction of the Rutgers–Chalmers van der Waals density functional (vdW-DF) are presented with the aim of giving a historical perspective, while also emphasizing more recent efforts which have sought to i...

A hybrid nanowire (HNW) was constructed by coating a single-wall carbon nanotube (SWCNT) with piezoelectric zinc oxide (ZnO). The two components of the HNW interact with each other via the van der Waals (vdW) force. This paper aims to study the effect of the piezoelectricity in the ZnO layer and the inter-phase vdW interaction on the fundamental vibration of the HNWs. In doing this, a new model...

This paper aims to investigate the pull-in phenomenon of functionally graded (FG) capacitive nanocantilevers subjected to an electrostatic force and thermal moment due to an applied voltage and thermal shock considering intermolecular force within the framework of nonlocal elasticity theory to account for the small scale effect. The FG nano-beam is made of mixture of metal and ceramic which the...

Epitaxial van der Waals (vdW) heterostructures of organic and layered materials are demonstrated to create high-performance organic electronic devices. High-quality rubrene films with large single-crystalline domains are grown on h-BN dielectric layers via vdW epitaxy. In addition, high carrier mobility comparable to free-standing single-crystal counterparts is achieved by forming interfacial e...

The van der Waals interaction is a weak, long-range correlation, arising from quantum electronic charge fluctuations. This interaction affects many properties of materials. A simple and yet accurate estimate of this effect will facilitate computer simulation of complex molecular materials and drug design. Here we develop a fast approach for accurate evaluation of dynamic multipole polarizabilit...

The adsorption of benzene and C60 on graphene and boron nitride is studied using density functional theory with the van der Waals density functional (vdW-DF). By comparing these systems we can systematically investigate their adsorption nature and differences between the two functional versions vdW-DF1 and vdW-DF2. The bigger size of the C60 molecule makes it bind stronger to the surface than b...

Reversible self-assembly of nanoparticles into ordered structures is essential for both fundamental study and practical applications. Although extensive work has been conducted, the demand for simple, cheap, reversible, and versatile ordering methods is still a central issue in current nanoscience and nanotechnology. Here we report a reversible and precise self-assembly of nanoparticles through...