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Solid-State Hydrogen Storage in Atomic Layer Deposited α‑MoO3 Thin Films.

David Maria Tobaldi1, Salvatore Mirabella2, Gianluca Balestra1,3

  • 1CNR Nanotec, Institute of Nanotechnology, University Campus Ecotekne, Via per Monteroni, 73100 Lecce, Italy.

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|June 18, 2025
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New solid-state hydrogen storage materials are needed. Alpha-molybdenum trioxide (α-MoO3) thin films reversibly store hydrogen using plasma at room temperature, offering a promising alternative to compressed gas or liquid hydrogen storage.

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Area of Science:

  • Materials Science
  • Chemical Engineering
  • Energy Storage

Background:

  • Hydrogen is a key energy vector, but conventional storage (compressed gas, liquid) faces limitations like high pressure and cryogenic temperatures.
  • Development of advanced solid-state hydrogen storage materials is crucial for widespread adoption of renewable energy.

Purpose of the Study:

  • To investigate the potential of alpha-molybdenum trioxide (α-MoO3) thin films for reversible solid-state hydrogen storage.
  • To explore a novel, low-pressure, room-temperature hydrogenation method for α-MoO3.

Main Methods:

  • Thin films of α-MoO3 were grown using atomic layer deposition.
  • Hydrogenation was achieved using hydrogen plasma at room temperature and 200 mTorr.
  • Density functional theory (DFT) calculations were employed to understand hydrogen insertion mechanisms.
  • Reversibility and storage capacity were evaluated, including the effect of an aluminum oxide capping layer.

Main Results:

  • α-MoO3 thin films demonstrated reversible hydrogen storage at room temperature and low pressure.
  • DFT calculations indicated preferential hydrogen bonding with oxygen atoms in van der Waals gaps.
  • Hydrogen desorption was effective at 350 °C under nitrogen, with repeatable cycling.
  • A 13 nm AlxOy capping layer successfully prevented hydrogen release.
  • Achieved volumetric hydrogen storage capacity of 28 kg·m-3.

Conclusions:

  • α-MoO3 thin films are a promising material for solid-state hydrogen storage.
  • The developed method offers a low-pressure, room-temperature alternative to conventional storage.
  • The material's reversible storage capacity and stability suggest potential for practical applications in energy storage systems.