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Irradiation-enhanced hydrogen storage in vacancy-engineered carbon and boron nitride nanocones: A coupled DFT and PHITS analysis

Hydrogen storage performance in nanostructured materials is governed not only by adsorption energetics but also by local energy dissipation and particle matter interactions. In this study, a coupled density functional theory (DFT) and PHITS 3.35 particle transport approach are employed to investigat...

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Gardado en:
Principais autores: M.A. Al-Khateeb, A.A. EL-Barbary
Formato: Artigo
Idioma:Inglês
Publicado: Elsevier 2026-06-01
Series:Journal of Radiation Research and Applied Sciences
Assuntos:
CNCs
Mono-vacancy
Density functional theory
PHITS simulation
Hydrogen storage
Energy deposition
Acceso en liña:http://www.sciencedirect.com/science/article/pii/S168785072600213X
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