# A possibility to infer frustrations of supported catalytic clusters from macro-scale observations

## TL;DR

This paper proposes a method to infer the frustration state of catalytic clusters by analyzing reagent supply and product formation patterns.

## Contribution

A novel approach is introduced to study out-of-equilibrium catalytic materials using macro-scale observations.

## Key findings

- Frustration in catalytic clusters can be inferred from reagent supply intensity and product formation regularities.
- Out-of-equilibrium materials may exhibit unique catalytic properties and higher functionality.
- The method offers a new way to study materials with energetically close local minima in free energy landscapes.

## Abstract

Recent experimental and theoretical studies suggest that dynamic active centres of supported heterogeneous catalysts may, under certain conditions, be frustrated. Such out-of-equilibrium materials are expected to possess unique catalytic properties and also higher level of functionality. The latter is associated with the navigation through the free energy landscapes with energetically close local minima. The lack of common approaches to the study of out-of-equilibrium materials motivates the search for specific ones. This paper suggests a way to infer some valuable information from the interplay between the intensity of reagent supply and regularities of product formation.