Figure 4
From: Molecular dynamics study of lithium intercalation into –OH functionalized carbon nanotube bundle
Behavior of the twenty Li ions intercalating and diffusing into the bundle of the –OH functionalized CNTs, simulated in a hexagonal box with dimensions of 15.0 × 15.0 × 32.0 Å3. (a) Typical snapshot of the unit cell, top view. (b) Side view. (c) Distribution of the Li ions in the x–y plane. (d) Radial distribution of the Li ions. (e) Axial distribution of the ions within CNT. (f) The z-position as a function of simulation time (ps) for each Li ion. The pictures of (a–c) are generated by VMD 1.8.3 software. URL link: http://www.ks.uiuc.edu/Research/vmd/. The plots of (d–f) are generated by gnuplot 5.0 software. URL link: http://www.gnuplot.info/.
