Polypeptides in a-helix conformation have diode behavior that it is explained using ab initio molecular orbital theory.  Interestedly, contrary to what is found in semiconductor diodes, much larger currents are found when the electric ?eld goes antiparallel to the intrinsic dipole of the molecule than when the electric ?eld dipole goes parallel.  This lead us to conclude that electron conduction takes place through the hydrogen bonds of a polyalanine, with the current-voltage curve following the H-bond dipole, rather than the molecule dipole.  Current increases through the junction because the HOMO and LUMO energies approach each other as the electric ?eld is increased in one direction and the current decreases to practically zero when it is increased in the other direction.  These helical peptides can be used in the fabrication of molecular devices for tri-dimensional systems for novel architectures that are smaller, faster, lighter, and cheaper and with lower energy dissipation

Electron conduction through H-bonds in alpha-helix polypeptides

245th National Meeting (2013)

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