Silver electrodes provide higher conductance than gold for thiol-terminated oligosilane molecular junctions: the interfacial effect

• Published in: Physical chemistry chemical physics : PCCP Vol. 25; no. 19; pp. 13673 - 13682
• Main Authors: Wang, Minglang, Chen, Xianglin, Lu, Wenjun, Tian, Xinyue, Zhang, Guang-Ping
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 17.05.2023
• Subjects: Charge transport; Configurations; Electrode materials; Electrodes; Electron tunneling; First principles; Gold; Quantum transport; Silver; Transport properties

The understanding of the interfacial effect on charge transport is essential in single-molecule electronics. In this study, we elucidated the transport properties of molecular junctions comprising thiol-terminated oligosilane with three to eight Si atoms and two types of Ag/Au electrode materials em...