Julien Autebert, Aditya Kashyap, et al.
Langmuir
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.
Julien Autebert, Aditya Kashyap, et al.
Langmuir
Imran Nasim, Melanie Weber
SCML 2024
K.A. Chao
Physical Review B
A. Reisman, M. Berkenblit, et al.
JES