Restricted dynamics of molecular hydrogen confined in activated carbon nanopores

Quasi-elastic neutron scattering was used for characterization of dynamics of molecular hydrogen confined in narrow nanopores of two activated carbon materials: a carbon derived from polyfurfuryl alcohol and an ultramicroporous carbon. Fast, but incomplete ortho–para conversion was observed at 10 K, suggesting that scattering originates from the fraction of unconverted ortho isomer which is rotation-hindered because of confinement in nanopores. Hydrogen molecules entrapped in narrow nanopores (<7 Å) were immobile below 22–25 K. Mobility increased rapidly with temperature above this threshold, which is higher than the melting point of bulk hydrogen (13.9 K). Diffusion obeyed fixed-jump length mechanism, indistinguishable between 2D and 3D processes. Thermal activation of diffusion was characterized between ～22 and 37 K, and structure-dependent differences were found between the two carbons. Activation energy of diffusion was higher than that of bulk solid hydrogen. Classical notions of liquid and solid do not longer apply for H₂ confined in narrow nanopores.