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Decoration of graphene nanoribbons by transition-metal elements
Wei-Bang Li, Kuang-I Lin, Yu-Ming Wang +2
Graphene is a famous truly two-dimensional (2D) material, possessing a cone-like energy structure near the Fermi level and treated as a gapless semiconductor. Its unique properties…
Essential properties of AlCl4-related graphite intercalation compounds of aluminum-ion-based battery cathodes
Wei-Bang Li, Ming-Hsiu Tsai, Shih-Yang Lin +2
Up to now, many guest atoms/molecules/ions have been successfully synthesized into graphite to form the various compounds. For example, alkali-atom graphite intercalation compounds…
Geometric and electronic properties on stage-1 FeCl3-graphite intercalation compounds
Li Wei-Bang, Lin Shih-Yang, Tsai Ming-Shuei +2
The calculated results of FeCl3 graphite intercalation compounds show the detailed features. The stage-1 FeCl3-graphite intercalation compounds present diversified electronic prope…
Essential electronic properties on stage-1 Li/Li+-graphite-intercalation compounds for different concentrations
Wei-Bang Li, Shih-Yang Lin, Ngoc Thanh Thuy Tran +2
We use first-principles calculation within the density functional theory (DFT) to explore the electronic properties on stage-1 Li- and Li+-graphite-intercalation compounds (GIC) fo…