Intercalation of Ions into Nanotubes for Energy Storage - A Theoretical Study

ALEKSEJ GODULJAN; ELIZABETH SANTOS; FERNANDA JUAREZ; WOLFGANG SCHMICKLER; LEILA MOHAMMADZADEH; PAOLA QUAINO

Nanopatterned and Nanoparticle-Modified Electrodes

Wiley VCH

Año: 2017; p. 1 - 403

In this chapter we review our recent work in this area, considering mostly singleions in nanotubes as the most basic case. In particular, we have calculated theenergy of insertion of ions into various kinds of tubes and the screening of theionic charge by the walls of the tubes. Since this is a rapidly growing field, we canonly give a snapshot of the present state of the art. However, we believe that theresults presented here already help in understanding charge storage in nanotubeson an atomistic basis and that they form a good basis from which one can start toinvestigate more complicated systems.