Electronic transport properties of carbon chains between Au and Ag electrodes: A first-principles study

@article{Fang2011ElectronicTP,
  title={Electronic transport properties of carbon chains between Au and Ag electrodes: A first-principles study},
  author={C. Fang and B. Cui and Yuqing Xu and Guomin Ji and Desheng Liu and Shijie Xie},
  journal={Physics Letters A},
  year={2011},
  volume={375},
  pages={3618-3623}
}
  • C. Fang, B. Cui, +3 authors Shijie Xie
  • Published 2011
  • Physics
  • Physics Letters A
  • Abstract We report first-principles calculations of the current-voltage characteristic and the conductance of carbon-based molecular wires with different length capped with sulfur ends between two metallic electrodes made of different metals. The optimized molecular structure of carbon chain in the junction is presented on the structure of polyyne. The conductance of the polyyne wires shows oscillatory behavior depending on the number of carbon atoms (triple bonds). Current rectification is… CONTINUE READING
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