DataVXNature MaterialsPaper
journal article·2021-05

Tuning surface d bands with bimetallic electrodes to facilitate electron transport across molecular junctions

Mong-Wen Gu, Hao Howard Peng, I-Wen Peter Chen, Chun-hsien Chen

Nature Materials· Volume 20· Issue 5
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Source abstract

Abstract

Understanding chemical bonding and conductivity at the electrode-molecule interface is key for the operation of single-molecule junctions. Here we apply the d-band theory that describes interfacial interactions between adsorbates and transition metal surfaces to study electron transport across these devices. We realized bimetallic Au electrodes modified with a monoatomic Ag adlayer to connect α,ω-alkanoic acids (HO2C(CH2)nCO2H). The force required to break the molecule-electrode binding and the contact conductance Gn=0 are 1.1 nN and 0.29 G0 (the conductance quantum, 1 G0 = 2e2/h ≈ 77.5 μS), which makes these junctions, respectively, 1.3-1.8 times stronger and 40-60-fold more conductive than junctions with bare Au or Ag electrodes. A similar performance was found for Au electrodes modified by Cu monolayers. By integrating the Newns-Anderson model with the Hammer-Nørskov d-band model, we explain how the surface d bands strengthen the adsorption and promote interfacial electron transport, which provides an alternative avenue for the optimization of molecular electronic devices.
Source: europepmc · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: Molecular Junctions and Nanostructures · Nanowire Synthesis and Applications · Quantum and electron transport phenomena

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

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