Tuning surface d bands with bimetallic electrodes to facilitate electron transport across molecular junctions.
Nat Mater
; 20(5): 658-664, 2021 May.
Article
in En
| MEDLINE
| ID: mdl-33510446
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.
Full text:
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Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Nat Mater
Journal subject:
CIENCIA
/
QUIMICA
Year:
2021
Document type:
Article
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