Surface rearrangement at complex adsorbate-substrate interfaces

TL;DR

This paper introduces a new statistical method based on information theory to analyze how adsorbate-induced changes affect substrate surface structures, linking morphology and thermodynamics even with limited data.

Contribution

It presents a novel statistical scheme that relates substrate morphology to adsorbate thermodynamics, enabling surface structure estimation from incomplete information.

Findings

Establishes a relation between substrate morphology and adsorbate thermodynamics.

Provides a method to estimate surface structure with limited experimental data.

Links surface transformations to thermodynamic responses.

Abstract

On the basis of the information theory approach we propose a novel statistical scheme for analyzing the evolution of coupled adsorbate-substrate systems, in which the substrate undergoes the adsorbate-induced transformations. A relation between the substrate morphology and the adsorbate thermodynamic state is established. This allows one to estimate the surface structure in terms of incomplete experimental information and the one concerning the adsorbate thermodynamic response to the structural modifications.