The control of inorganic nanotube morphology using an applied potential

摘要: Molecular dynamics computer simulations of the filling carbon nanotubes (CNTs) by a generic molten salt to form hexagonal-net-based inorganic (INTs) are described. A model is introduced incorporate CNT metallicity which imposes variable Gaussian charges on each atomic site in order retain an equipotential. The inclusion observed have no significant effect distribution INT morphologies formed as compared with non-metallic CNTs. application voltage bias forms new class INTs can be considered constructed from concentric layers pseudo-close-packed anions and cations. Removal leads formation different that for unbiased differences distributions interpreted terms CNTs behaving effective energy landscape filters, applied acts additional control variable. potential facilitating alternative mechanistic pathways nanotube formation.