文摘
For a physical adsorption system, the distances of adsorbates from the surface of a substrate can varysignificantly, depending on particle loading and interatomic interactions. Although the total adsorption energyis quantified easily, the normalized, per-particle adsorption energies are more ambiguous if some of theseparticles are far away from the surface and are interacting only weakly with the substrate. A simple analyticalprocedure is proposed to characterize the distance dependence of the physisorption strength and effectiveadsorption capacity. As an example, the method is utilized to describe H2 physisorption in a finite bundle ofsingle-walled carbon nanotubes.