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First-principles study of rectification in bis-2-(5-ethynylthienyl)ethyne molecular junctions

Shundong Yuan1, Shiyan Wang, Qunbo Mei

  • 1Jiangsu Key Laboratory of Organic Electronics & Information Displays and Institute of Advanced Materials, Nanjing University of Posts and Telecommunications, Nanjing 210046, People's Republic of China.

The Journal of Physical Chemistry. A
|July 2, 2011
PubMed
Summary

Investigating molecular junctions with bis-2-(5-ethynylthienyl)ethyne (BETE), this study found that asymmetric electrode-molecule contacts are crucial for electron transport rectification. Donor-acceptor groups did not significantly enhance this rectifying effect in BETE-based junctions.

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