Introducing molecular electronics by Gianaurelio Cuniberti, Giorgos Fagas, Klaus Richter

By Gianaurelio Cuniberti, Giorgos Fagas, Klaus Richter

This quantity offers a precis of our present knowing of molecular electronics mixed with chosen state of the art effects at a degree obtainable to the complicated undergraduate or amateur postgraduate. This unmarried ebook contains the elemental wisdom of either thought and test underpinning this swiftly growing to be box. techniques and methods equivalent to density useful thought and cost delivery, holiday junctions and scanning probe microscopy are brought step by step and are for that reason utilized in particular examples. The textual content addresses a variety of structures together with molecular junctions made from single-molecules, self-assembled monolayers, carbon nanotubes and DNA.

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T20 but injection is not on resonance (but, say, at Note that if Γ2 midgap), we find [41] 4t2 Γ2 (9) g = g0 2 0 2 → 0 (t0 + Γ) Foundations of Molecular Electronics – Charge Transport 21 The conductance then exhibits turnover behavior, vanishing at t0 = 0 (as seen Γ, from (7)) because no mixing of the two molecular sites occurs, and at t0 because there is no available spectral density at the orbital resonance energy. 3 The Relationship Between Electron Transfer Rates and Molecular Conduction We have already noted that electron transfer and molecular conduction are two facets of electron transmission through a molecular environment, and as such should be interrelated.

A proposed molecular junction switch based on rotation about an intramolecular triple bond. Upon changing bias direction, the isomerization substantially changes pi overlap, changing the ambient predicted conductance by more than a factor of 100. After [121] 44 J. Jortner et al. 3 V(Volts) Fig. 19.

Reference [29–35] The use of molecular electronic structure theory for the molecule, combined with models for the interface and appropriate treatments (NEGF formulations [29–36], Lippman/Schwinger scattering approaches [37–40]) of the scattering process lead to actual calculations of molecular transport. In the limit of small applied voltage V , the coherent conductance can be written as + e2 T rM {GM (Φ)ΓR (Φ)GM (Φ)ΓL (Φ)} (5) g(Φ) = π Here the Green’s function GM describes propagation through the molecule, and ΓR and ΓL are respectively the spectral densities coupling the molecule to the electrodes on the left and the right.

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