Thermoelectric properties of fullerene-based junctions: a first-principles study.

@article{Wang2016ThermoelectricPO,
  title={Thermoelectric properties of fullerene-based junctions: a first-principles study.},
  author={Rui-Ning Wang and Guo-yi Dong and Shufang Wang and Guang-Sheng Fu and J Wang},
  journal={Physical chemistry chemical physics : PCCP},
  year={2016},
  volume={18 40},
  pages={28117-28124}
}
This study is built on density functional calculations in combination with the non-equilibrium Green's function, and we probe the thermoelectric transport mechanisms through C60 molecules anchored to Al nano-electrodes in three different ways, such as, the planar, pyramidal, and asymmetric surfaces. When the electrode is switched from the planar and… CONTINUE READING