Curvature effect on the interaction between folded graphitic surface and silver clusters

TL;DR

This study investigates how surface curvature influences the interaction and binding of silver clusters on folded graphitic surfaces, combining experimental imaging and theoretical modeling to reveal a transition from quantum to classical behavior.

Contribution

It provides new insights into curvature effects on metal-graphite interactions using combined experimental and density functional theory approaches.

Findings

Curvature affects silver cluster binding on graphitic surfaces.

Evidence of a quantum to classical crossover in cluster behavior.

Theoretical models align with SEM and AFM observations.

Abstract

Evidence of curvature effects on the interaction and binding of silver clusters on folded graphitic surfaces has been shown from both experiment and theory. Density Functional Theory (DFT) calculations within the local density and generalized gradient approximations have been performed for the structural relaxation of both Ag and Ag$_2$ on curved surfaces, showing a cross-over from quantum to classical behaviour. Using Lennard-Jones potential to model the interaction between a single cluster and the graphene surface, evidence is found for the curvature effect on the binding of silver nano-particles to folding graphitic surfaces. The theoretical results are compared to SEM and AFM images of samples obtained from pre-formed silver cluster deposition on carboneous substrates exhibiting anisotropic pleat structures.