The electronic structures of protein nanotubes, which are formed by the periodical stacking of cyclo-peptide-rings (CPRs), are theoretically investigated in terms of ab initio calculations. The interring interaction is caused through the interring H bonds, when CPRs are periodically stacked. This interaction has a potential to delocalize electrons and holes toward the tube axis, so that the band conduction occurs throughout the interring H bonds.
- energy band Gap
- first-principle electronic structures
- local density functional method
- protein nanotubes
ASJC Scopus subject areas
- Physics and Astronomy(all)