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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…
Diverse fundamental properties in stage-n graphite alkali-intercalation compounds: anode materials of Li+-based batteries
Wei-bang Li, Ngoc Thanh Thuy Tran, Shih-yang Lin +1
The diversified essential properties of the stage-n graphite alkali-intercalation compounds are thoroughly explored by the first-principles calculations. According to their main fe…