Toward a Unified Theory of Catalysis

TL;DR

This paper proposes a unifying theoretical framework for catalysis that integrates various types of catalytic systems, providing a cohesive understanding of their underlying principles and performance.

Contribution

It introduces a comprehensive model combining spatial and temporal factors, unifying diverse catalytic processes under shared physical and chemical principles.

Findings

Unified model explains molecular, atomic, and enzymatic catalysis

Demonstrates shared principles across different catalytic systems

Enhances understanding of catalytic activity across conditions

Abstract

Catalysis lies at the heart of chemical reactivity, yet its foundational principles remain fragmented across the distinct domains of homogeneous, heterogeneous, and enzymatic systems Here, we propose a unifying theoretical model that integrates spatial and temporal dimensions into a single framework, offering a cohesive understanding of catalytic activity across diverse materials and conditions. This model builds upon established kinetic theories, incorporating local site density distributions, time-dependent modulations, and intrinsic reaction rates to deliver a comprehensive description of catalytic performance. By applying this approach, we demonstrate how seemingly disparate catalytic processes, from molecular complexes and single-atom catalysts to complex enzyme systems, can be interpreted through shared physical and chemical principles.