Shu-Jen Han, Dharmendar Reddy, et al.
ACS Nano
We present first principles calculations of the electronic structure, conductance, and electrostatic potential profile of a biased molecular wire. Metal-molecule charge transfer, bias-induced polarization of the wire, electron backscattering, and intrawire screening affect the electrostatic potential along the wire. Substituting a single atom in the wire can drastically change the potential distribution.
Shu-Jen Han, Dharmendar Reddy, et al.
ACS Nano
David B. Mitzi
Journal of Materials Chemistry
P. Alnot, D.J. Auerbach, et al.
Surface Science
Dipanjan Gope, Albert E. Ruehli, et al.
IEEE T-MTT