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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

Authors
Shin, JaehoGu, KyungyeolYang, SeunghoonLee, Chul-HoLee, TakheeJang, Yun HeeWang, Gunuk
Issue Date
7월-2018
Publisher
AMER CHEMICAL SOC
Keywords
Molecular junction; graphene; molecular-tilt configuration; intermolecular van der Waals interaction; transition voltage
Citation
NANO LETTERS, v.18, no.7, pp.4322 - 4330
Indexed
SCIE
SCOPUS
Journal Title
NANO LETTERS
Volume
18
Number
7
Start Page
4322
End Page
4330
URI
https://scholar.korea.ac.kr/handle/2021.sw.korea/74449
DOI
10.1021/acs.nanolett.8b01294
ISSN
1530-6984
Abstract
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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