The diversity of electron-transport behaviors of molecular junctions: correlation with the electron-transport pathway.

@article{Liu2010TheDO,
  title={The diversity of electron-transport behaviors of molecular junctions: correlation with the electron-transport pathway.},
  author={Hongmei Liu and Cui Yu and Nengyue Gao and Jianwei Zhao},
  journal={Chemphyschem : a European journal of chemical physics and physical chemistry},
  year={2010},
  volume={11 9},
  pages={1895-902}
}
We report the electron-transport behaviors of a number of molecular junctions composed of pi-conjugated molecular wires. From calculations performed by using density functional theory (DFT) combined with the non-equilibrium Green's function (NEGF) method, we found that the length-conductivity relations are diverse, depending on the particular molecular… CONTINUE READING