Asymmetric electron transport realized by decoupling between molecule and electrode

• Main Authors: Liu, Hongmei, Zhao, Jianwei, Boey, Freddy Yin Chiang, Zhang, Hua
• Other Authors: School of Materials Science & Engineering
• Format: Article
• Language: English
• Published: 2012
• Subjects: DRNTU::Engineering::Materials
• Online Access: https://hdl.handle.net/10356/95130; http://hdl.handle.net/10220/8632
• Institution: Nanyang Technological University

We studied the contact coupling effect on the asymmetric electron transport in molecular junctions by the first-principles density functional theory incorporating with the non-equilibrium Green’s function method. To realize the decoupling, a rigid saturated ring is inserted into the metallic electro...