Confinement Effect on Heterogeneous Electron Transfer in Aqueous Solutions inside Conducting Nanotubes

Abstract

Abstract An Fe3+/2+ redox couple in conducting single wall carbon nanotubes filled with water molecules is investigated in the framework of the electron transfer theory and with classical molecular dynamics simulations. The diameter of the nanotubes ranges from 0.8 nm to 3.5 nm. It can be concluded, qualitatively, that the electron transfer rate significantly increases with decreasing nanotube diameter. This effect is explained basically in terms of the solvent reorganization energy. Other factors that can affect the reaction rate are discussed as well.

Keywords

• nanopore confinement
• molecular dynamics
• carbon nanotubes
• electron transfer
• solvent reorganization energy