分子状水素の貯蔵媒体としてのグラフェンナノ構造の理論的検討
Achieving the U.S. Department of Energy targets of 6.5% mass ratio and 62 kg/m³ volumetric density for hydrogen storage in fuel cell applications has remained elusive both experimentally and theoretically. This computational study demonstrates that prior theoretical work on graphitic carbon systems produced misleading capacity estimates due to insufficiently precise carbon–H₂ interaction potentials and inadequate treatment of quantum mechanical effects. When quantum contributions to free energy and the adsorption equilibrium constant are properly incorporated, graphite-based physisorption systems are shown to approach the DOE specifications. The findings indicate that structural optimization of nano-graphite platelets (graphene)—materials that are lightweight, inexpensive, chemically stable, and environmentally compatible—could make this storage target practically attainable.
Accurate carbon–H₂ interaction potentials combined with proper quantum mechanical corrections to free energy and the adsorption equilibrium constant reveal that graphene-based physisorption can achieve hydrogen storage capacities previously underestimated by earlier theoretical models.
The delivery route is not clearly identifiable from this paper. For hydrogen intake, inhalation is the most efficient route; inhalation, however, carries explosion risk (empirical LFL of 10%; high-concentration devices are not recommended).
See also:
https://h2-papers.org/en/papers/16020537