Electronic Transport through Au-contacted, Thiol-terminated PEEB


Electronic Transport through Au-contacted, Thiol-terminated PEEB

Kelling, J.; Sendler, T.; Erbe, A.; Gemming, S.

Transport through the organic molecule 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene (PEEB) with Thiol (SH) terminal groups, contacted by Gold electrodes, has been investigated using Density functional Theory (DFT) and the Non-Equilibrium Green’s Function (NEGF) method. The results confirm the existence of a single-atom contact configuration with unusually high conductance for organic molecules of >0.1G0.

  • Lecture (others)
    NanoNet Workshop, 30.09.-02.10.2015, Rathen, Sächsische Schweiz, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-22462
Publ.-Id: 22462