 | Acta Crystallographica Section A Acta Crystallographica Section A FOUNDATIONS AND ADVANCES |
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![[Figure 5]](lb5002fig5mag.jpg)
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Figure 5
Molecular graphics `snapshots' showing the filling of the (a) (16,0) and (b) (18,0) carbon nanotubes, respectively. The anions and cations are represented by the large and small circles, respectively. The time (in ps) from the simulation start (corresponding to unfilled carbon nanotube) is shown on the right. In (a), a single chain of face-sharing octahedra forms. The highlighted anions indicate that anions are not exchanged between different faces on the simulation time scale, once the face-sharing structure has formed, but do rotate about the crystallite major axis. In (b), a crystal structure based on two cations in the cross section is formed. The first two snapshots highlight how the final structure formed by building on an initial single-cation chain `backbone'. |
![[Figure 5]](lb5002fig5.jpg)
| FOUNDATIONS ADVANCES |
ISSN: 2053-2733
