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Toward a Unified Theory of Catalysis

Published 2 May 2025 in physics.chem-ph | (2505.01213v1)

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.

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