Study of NaXH3 Hydrides for Hydrogen Storage
Author Information
Author(s): Tufail Danial, Ahmed Umair, Haleem Mazhar, Amin Bin, Shafiq Muhammad
Primary Institution: Department of Physics, Abbottabad University of Science & Technology
Hypothesis
Can NaXH3 (X = Be, Mg, Ca, Sr) hydrides be effective materials for hydrogen storage?
Conclusion
NaBeH3, NaMgH3, and NaCaH3 are promising candidates for hydrogen storage applications due to their high gravimetric ratios.
Supporting Evidence
- NaBeH3 has the highest gravimetric hydrogen storage capacity at 8.6%.
- NaMgH3 and NaCaH3 also show significant hydrogen storage capacities of 6.0% and 4.5%, respectively.
- All materials studied are mechanically stable and meet the Born stability criteria.
Takeaway
This study looks at special materials that can hold hydrogen, which is important for clean energy. Some of these materials can hold a lot of hydrogen, making them useful for future energy needs.
Methodology
Density functional theory (DFT) and full-potential linearized augmented plane wave plus local orbitals (FP-LAPW+lo) were used for calculations.
Digital Object Identifier (DOI)
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