ボロフェンへの水素分子解離によるボロファン合成戦略の理論的検討
Using comprehensive density functional theory calculations, a novel electrochemical route for synthesizing borophane—the hydrogenated form of borophene—was investigated. By adjusting the charge state of borophene, the activation energy barrier for H2 dissociation was found to decrease markedly to 0.27 eV, while the overall reaction released 2.08 eV of energy in an exothermic process. The metallic nature of borophene allows charge modulation at low energy cost. Computational analysis confirms that the hydrogenation of charged borophene to yield borophane is both kinetically and thermodynamically viable, offering a practical pathway toward fabricating this material for potential nanoelectronic applications.
Electrochemical modulation of borophene's charge state reduces the H2 dissociation energy barrier to 0.27 eV, enabling an exothermic reaction (2.08 eV) that produces borophane through hydrogen molecule decomposition on the borophene surface.
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/29863205