Transport in a fullerene terminated aromatic molecular device

• Main Authors: Kaur, Rupan Preet, Engles, Derick
• 格式: Article
• 語言: English
• 出版: H. : ĐHQGHN 2018
• 主題: DFT; NEGF; HOMO; LUMO; Mulliken; Rectification
• 在線閱讀: http://repository.vnu.edu.vn/handle/VNU_123/62929; https://doi.org/10.1016/j.jsamd.2018.02.003
• 機構: Vietnam National University, Hanoi

In this work, we propose fullerene molecule C20as an anchor to fabricate a robust aromatic molecular junction. The electron transport properties of this fullerene terminated aromatic molecular device at zero bias andfinite bias voltage are investigated by using non-equilibrium Green's function...