Symmetry Effects on Attenuation Factors in Graphene-Based Molecular Junctions

Qian Zhang (1, 2) , Shuhui Tao (1, 2) , Ruowei Yi (1, 2) , Chunhui He (1, 2) , Cezhou Zhao (3, 4) , Weitao Su (5) , Alexander Smogunov (6) , Yannick J Dappe (6) , Richard J. Nichols (1) , Li Yang (1)

1 University of Liverpool
2 Department of Chemistry, Suzhou, Jiangsu, 215123 China
3 Department of Electrical Engineering and Electronics
4 Xjtu - Xi'an Jiaotong University
5 HDU - Hangzhou Dianzi University
6 GMT - Groupe Modélisation et Théorie

Unique structural and electronic characteristics of graphene make it an attractive contact for fundamental single-molecule electrical studies. With this in mind, we have probed here the electrical conductance of a molecular junction based on $\alpha$,$\omega$-diaminoalkane chains sandwiched between a gold and a graphene electrode. Using an STM based I(s) method combined with density functional theory-based transport calculations, we demonstrate that the resulting attenuation factor turns out to be much lower when compared to the standard molecular junction between two gold electrodes. This effect is attributed to asymmetric coupling of the molecule through strong chemisorption at the gold electrode and weaker van der Waals contact at graphene. Moreover, this asymmetric coupling induces higher conductance than that in the same hybrid metal−graphene molecular junction using standard thiol anchoring groups.

Domains: Physics [physics]

Qian Zhang, Shuhui Tao, Ruowei Yi, Chunhui He, Cezhou Zhao, et al.. Symmetry Effects on Attenuation Factors in Graphene-Based Molecular Junctions. Journal of Physical Chemistry Letters, 2017, 8, pp.5987 - 5992. ⟨10.1021/acs.jpclett.7b02822⟩. ⟨cea-01687065⟩