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Physical Review B
The adsorption of molecular hydrogen on a glassy material and its relatives is studied with a use of pseudopotential density-functional method. The binding energy and distance of adsorbed hydrogen is particularly calculated. It is found that the desorption temperature of hydrogen in layered boron oxide is significantly higher than that in carbon nanotubes as much as twice, which is attributed to heteropolar bonding in boron oxide. The effect of water addition to boron oxide on hydrogendoi:10.1103/physrevb.71.035408 fatcat:6ku6ilj6k5bojbygaxh32x7454