Spin Polarization and Barrier Synergy: New Paradigms in Catalytic Science.

Abstract

Electron-spin catalysis is emerging as a powerful strategy to tune reaction pathways by leveraging the quantum property of electron-spin. Unlike traditional approaches that rely on compositional changes or surface engineering, spin-modulation enables precise control over intermediate adsorption and energy-barriers without altering the catalyst's chemical structure. A central concept is spin-barrier synergy, where spin-polarization lowers activation energies in rate-determining steps, offering broad benefits across catalytic systems. This review outlines the fundamental mechanisms underpinning spin catalysis, including spin-polarization, spin-orbit coupling, and exchange interactions. We summarize recent advances in controlling spin states through external fields (magnetic, electric, thermal,  optical) and chemical methods such as doping, defect engineering, coordination tuning, and chiral modification. These strategies are discussed in the context of enhancing catalytic activity, selectivity, and stability, with examples drawn from photocatalysis, electrocatalysis, thermocatalysis, and single atom catalysis. We also examine key challenges, including maintaining spin coherence under realistic conditions, improving in situ spin-state detection, and scaling spin regulated systems for practical deployment. Finally, we highlight the potential of quantum computing and machine learning in accelerating spin catalyst design and performance prediction. By integrating theoretical principles with real-world considerations, this review provides a roadmap for advancing spin catalysis from conceptual exploration to technological application.