1 results match your criteria: "Hebei Normal University Shijiazhuang 050024 Hebei China yliu@hebtu.edu.cn.[Affiliation]"
B-containing volleyball-like molecule for hydrogen storage.
RSC Adv
February 2020
Department of Physics, Hebei Advanced Thin Film Laboratory, Hebei Normal University Shijiazhuang 050024 Hebei China
A stable core-shell volleyball-like structure of B@LiAl has been proposed using first-principles calculations. This structure with symmetry is constructed with a core structure of -B and a volleyball-like shell of LiAl. Frequency analysis and molecular dynamics simulations demonstrate the exceptional stability of B@LiAl.
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