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DOE OSTI · 2449696

A Bulk versus Nanoscale Hydrogen Storage Paradox Revealed by Material-System Co-Design

Witman, Matthew D.·Brooks, Kriston P.·Sprik, Samuel J.·Wood, Brandon C.·Heo, Tae Wook·Ray, Keith G.·Klebanoff, L. E.·Acosta, Austin·Stavila, Vitalie·Allendorf, Mark D.
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Abstract

Metal hydrides are serious contenders for materials-based hydrogen storage to overcome constraints associated with compressed or liquefied H 2 . Their ultimate performance is usually evaluated using intrinsic material properties without considering a systems design perspective. An illustrative case with startling implications is (LiNH 2 +2LiH). Using models that simulate the storage system and associated fuel cell of a light-duty vehicle (LDV), the performance of the bulk hydrides is compared with a nanoscaled version in porous carbon (PC), (LiNH 2 +2LiH)@(6-nm PC). Using experimental material properties, the simulations show that (LiNH 2 +2LiH)@(6-nm PC) counterintuitively has higher usable gravimetric and volumetric capacities than the bulk counterpart on a system basis despite having lower capacities on a materials-only basis. Nanoscaling increases the thermal conductivity and lowers the desorption enthalpy, which consequently increases heat management efficiency. In a simulated drive cycle for fuel cell-powered LDV, the fuel cell is inoperable using bulk (LiNH 2 +2LiH) as the storage material but completes the drive cycle using the nanoscale material. Further, these results challenge the notion that nanoscaling incurs mass and volume penalties. Instead, the synergistic nanoporous host-hydride interaction can favorably modulate chemical and heat transfer properties. Moreover, a co-design approach considering application-specific tradeoffs is essential to accurately assess a material's potential for real-world hydrogen storage.

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08 HYDROGEN36 MATERIALS SCIENCEfuel cellshydrogen storagelithium amidemetal hydridenanoscale materialsporous carbon (PC)

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Witman, Matthew D., Brooks, Kriston P., Sprik, Samuel J., Wood, Brandon C., Heo, Tae Wook, Ray, Keith G., Klebanoff, L. E., Acosta, Austin, Stavila, Vitalie, Allendorf, Mark D.. 2024-09-18. A Bulk versus Nanoscale Hydrogen Storage Paradox Revealed by Material-System Co-Design. https://doi.org/10.1002/adfm.202411763

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