Adsorption of $^4$He on a single C$_{60}$

TL;DR

This paper investigates how helium-4 atoms adsorb on and inside a single C60 molecule, analyzing the energetics, structure, and layering phenomena to understand the transition toward bulk liquid behavior.

Contribution

It introduces a physisorption potential for helium on C60 and explores the structural evolution and layering in helium-C60 clusters.

Findings

Pronounced layered density profiles develop around C60.

Structural features evolve towards bulk liquid characteristics.

Surface thickness and energetics are characterized in the clusters.

Abstract

The adsorption of $^4$He inside and outside a single fullerene C$_{60}$ is studied. A physisorption potential is proposed. The energetics and structural features of C$_{60}$-$^4$He$_N$ clusters are investigated. Particular attention is paid to the growth of the highly pronounced layered density profile. The evolution towards bulk liquid and surface thickness at the free interface are discussed.