H2 Activation and Adsorbed H Species on Pt‐Based Heterogeneous Catalysts: Fundamentals and Advances

Abstract H 2 activation on heterogeneous catalysts is a fundamental step in numerous chemical processes, with the nature of adsorbed hydrogen (H) species playing a critical role in catalytic performance. In this review, we systematically categorize the formation of different H species based on the coordination environment of active metal sites, distinguishing between homolytic and heterolytic H 2 dissociation pathways. Focusing on Pt‐based heterogeneous catalysts, we provide atomic‐scale insights into adsorbed H species and Pt metal. The experimental detection of Pt─H adducts is then critically evaluated via three key spectroscopic techniques: infrared (IR) spectroscopy, inelastic neutron scattering (INS) spectroscopy, and X‐ray absorption spectroscopy (XAS), highlighting recent advancements in spectral interpretation. Complementary theoretical studies that can provide binding details of Pt─H bonds are also discussed to elucidate Pt─H adsorption configurations, binding energies, dynamic properties, and coverage‐dependent behavior. Finally, we summarize the strengths and limitations of each characterization method and provide perspectives on future research directions for understanding adsorbed H species in catalysis. This review aims to bridge the gap between experimental observations and theoretical modeling, offering a comprehensive foundation for designing more efficient catalysts in hydrogen‐involved reactions.