Interstellar Dust-Catalyzed Molecular Hydrogen Formation Enabled by Nuclear Quantum Effects

Molecular hydrogen (H₂) is one of the key chemical species that controls and shapes a wide spectrum of astrophysical processes ranging from galaxy evolution to planet formation. Although the catalyzation on dust grain surfaces is considered as the dominant formation channel of H₂ in the interstellar medium (ISM), which could nonetheless suffer from the Boltzmann factor suppression at low temperatures. Here we demonstrate that quantum tunneling can dominate the H₂ formation process, effectively resolving the long-standing efficiency problem across a wide range of temperatures. By employing the path integral method in hybrid Monte Carlo simulations to account for nuclear quantum effects (NQEs), we quantitatively identify that the tunneling of hydrogen atoms maintains relatively stable efficiencies even at temperatures below 50 K on both graphitic and silicate grain surfaces. The potential barriers associated with chemisorption/desorption and two-H association, rather than diffusion and hopping, are the dominant factors governing the actual reaction efficiency at low temperatures. These findings provide a solid physical foundation for molecule formation, which historically relied on ad-hoc formation rate multipliers to explain observed rates. The quantitative rates also offer new methodologies for observational constraints on H₂ formation and destruction, thereby enabling more accurate astrophysical models and interpretations on interstellar molecular materials.