Electronic Structure and Lithium Diffusion in LiAl2(OH)6Cl Studied by First Principle Calculations
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DOI: 10.3390/molecules24142667
Abstract: First-principles calculations based on the density functional theory (DFT) were carried out to study the atomic structure and electronic structure of LiAl2(OH)6Cl, the only material in the layered double hydroxide family in which delithiation was… read more here.
Keywords: electronic structure; lial2 6cl; lithium diffusion; structure lithium ... See more keywords