Thermodynamics deposition on curve nanoholes

TL;DR

This paper investigates the thermodynamics of electrodeposition on nanoholes using lattice-gas models and Monte Carlo simulations, revealing various deposition stages and effects of curvature and size.

Contribution

It introduces detailed lattice-gas models of nanoholes with curvature effects and applies Monte Carlo methods to analyze thermodynamic properties during electrodeposition.

Findings

Identification of multiple deposition stages

Effect of curvature on thermodynamic behavior

Dependence of results on nanohole size and energy ranges

Abstract

In this work the thermodynamics of the electrodeposition on nanoholes is analyzed. Different lattice-gas models of nanoholes, from parallelepiped geometry to the empty bulk of a nanoparticle, were considered. The models include curvature on the inner walls. Several stages of deposition are identified. Monte Carlo technique in the Grand Canonical Ensemble is used to determine isotherms, isosteric heat, energy per site, etc. The study is based on different ranges of energies and nanoholes sizes.