Li-Decorated β12-Borophene as Potential Candidates for Hydrogen Storage: A First-Principle Study
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DOI: 10.3390/ma10121399
Abstract: The hydrogen storage properties of pristine β12-borophene and Li-decorated β12-borophene are systemically investigated by means of first-principles calculations based on density functional theory. The adsorption sites, adsorption energies, electronic structures, and hydrogen storage performance of… read more here.
Keywords: storage; hydrogen storage; borophene potential; potential candidates ... See more keywords