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Correlational effects of the molecular-tilt configuration and the intermolecular van der waals interaction on the charge transport in the molecular junction

Cited 14 time in Web of Science Cited 13 time in Scopus

Shin, Jaeho; Gu, Kyungyeol; Yang, Seunghoon; Lee, Chul-Ho; Lee, Takhee; Jang, Yun Hee; Wang, Gunuk

Issue Date
American Chemical Society
Nano Letters, Vol.18 No.7, pp.4322-4330
Molecular conformation, intermolecular interaction, and electrode-molecule contacts greatly affect charge transport in molecular junctions and interfacial properties of organic devices by controlling the molecular orbital alignment. Here, we statistically investigated the charge transport in molecular junctions containing self-assembled oligophenylene molecules sandwiched between an Au probe tip and graphene according to various tip-loading forces (F-L) that can control the molecular-tilt configuration and the van der Waals (vdW) interactions. In particular, the molecular junctions exhibited two distinct transport regimes according to the F-L dependence (i.e., F-L-dependent and F-L-independent tunneling regimes). In addition, the charge-injection tunneling barriers at the junction interfaces are differently changed when the F-L <= 20 nN. These features are associated to the correlation effects between the asymmetry-coupling factor (eta), the molecular-tilt angle (theta), and the repulsive intermolecular vdW force (F-vdw) on the molecular-tunneling barriers. A more-comprehensive understanding of these charge transport properties was thoroughly developed based on the density functional theory calculations in consideration of the molecular-tilt configuration and the repulsive vdW force between molecules.
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  • College of Engineering
  • Department of Electrical and Computer Engineering
Research Area 2차원 반도체 소자 및 재료, High-Performance 2D Electronics, Low-Power 2D Electronics, 뉴로모픽 소자 및 응용기술, 저전력 소자 및 소자물리


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