The effect of H2 occupancy modes in small and large cages of H2–tetrahydrofuran hydrates on the hydrates’ stability and H2 storage capacity

Hydrogen storage as hydrates is one of the most environmentally benign approaches to store hydrogen as it requires only water and traces of promoters. However, the scalability of storing hydrogen via hydrate formation is hindered by the limited understanding of the structure, dynamics and energetics...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2025-03, Vol.27 (13), p.6532-6545
Main Authors: Zheng, Ruyi, Sohaib Mohammed, Yang, Jia, Hazra, Rituparna, Greeshma Gadikota
Format: Article
Language:English
Subjects:
Cages
Decay rate
Hydrates
Hydrogen
Hydrogen bonds
Hydrogen storage
Molecular dynamics
Occupancy
Stability
Storage capacity
Tetrahydrofuran
Water chemistry
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