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Molecular Electronics: A Review of Experimental Results

100%
EN
Molecular electronics aims for scaling down electronics to its ultimate limits by choosing single molecules as the building blocks of active devices. The advantages of this approach are the high reproducibility of molecular synthesis on the nanometer scale, the ability of molecules to form large structures by self-assembly, and the huge versatility of molecular complexes. On the other hand, conventional contacting techniques cannot form contacts on the single molecule scale and imaging techniques nowadays cannot provide a detailed image of such junctions. Therefore, the fabrication has to rely to some degree on self-organization of the constituents. The proof that a molecule has been contacted successfully can only be given by indirect methods, for example by measuring the current transport through the junctions. Here we give an overview of various techniques that were used successfully to contact molecules and to characterize them electrically. The techniques range from methods to contact single molecules to such which can be used to characterize ensembles of molecules. Especially, the comparison between such different techniques shows that a single measurement is always prone to artefacts originating from the unknown microscopic details of the junctions. It is therefore necessary to perform a statistically relevant number of measurements in order to resolve molecular properties. Various properties of the molecules can be studied. Special examples are the influence of conformational changes of the molecules, differences between various coupling endgroups of the molecules and effects of light-irradiation onto the molecular junctions.
2
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Modeling transport through single-molecule junctions

88%
EN
Non-equilibrium Green's functions (NEGF) formalism combined with extended Hückel (EHT) and charging model are used to study electrical conduction through single-molecule junctions. The analyzed molecular complex is composed of the asymmetric 1,4-Bis((2′-para-mercaptophenyl)-ethinyl)-2-acetyl-amino-5-nitrobenzene molecule symmetrically coupled to two gold electrodes. Owing to this model, the accurate values of the current flowing through such junctions can be obtained by utilizing basic fundamentals and coherently deriving model parameters. Furthermore, the influence of the charging effect on the transport characteristics is emphasized. In particular, charging-induced reduction of conductance gap, charging-induced rectification effect and charging-generated negative value of the second derivative of the current with respect to voltage are observed and examined for the molecular complex.
EN
Several strategies to form multicomponent films of functional polymers, with micron, submicron and nanometer structures, intended for plastic electronics and biotechnology are presented. These approaches are based on film deposition from polymer solution onto a rotating substrate (spin-casting), a method implemented already on manufacturing lines. Film structures are determined with compositional (nanometer) depth profiling and (submicron) imaging modes of dynamic secondary ion mass spectrometry, near-field scanning optical microscopy (with submicron resolution) and scanning probe microscopy (revealing nanometer features). Self-organization of spin-cast polymer mixtures is discussed in detail, since it offers a one-step process to deposit and align simultaneously domains, rich in different polymers, forming various device elements: (i) Surface segregation drives self-stratification of nanometer lamellae for solar cells and anisotropic conductors. (ii) Cohesion energy density controls morphological transition from lamellar (optimal for encapsulated transistors) to lateral structures (suggested for light emitting diodes with variable color). (iii) Selective adhesion to substrate microtemplates, patterned chemically, orders lateral structures for plastic circuitries. (iv) Submicron imprints of water droplets (breath figures) decorate selectively micron-sized domains, and can be used in devices with hierarchic structure. In addition, selective protein adsorption to regular polymer micropatterns, formed with soft lithography after spin-casting, suggests applications in protein chip technology. An approach to reduce lateral blend film structures to submicron scale is also presented, based on (annealed) films of multicomponent nanoparticles.
4
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Spin-dependent transport through magnetic nanojunctions

75%
EN
Coherent electronic transport through a molecular device is studied using non-equilibrium Green's function (NEGF) formalism. Such device is made of atomic nanowire which is connected to ferromagnetic electrodes. The molecule itself is described with the help of Hubbard model (Coulomb interactions are treated by means of the Hartree-Fock approximation), while the coupling to the electrodes is modeled through the use of a broad-band theory. It was shown that magnetoresistance varies periodically with increasing length of the atomic wire (in the linear response regime) and oscillates with increasing bias voltage (in the nonlinear response regime). Since the TMR effect for analyzed structures is predicted to be large (tens of percent), these junctions seem to be suitable for application as magnetoresistive elements in future electronic circuits.
Open Physics
|
2006
|
vol. 4
|
issue 3
349-362
EN
Here we present the calculations of incoherent current flowing through the two-site molecular device as well as the DNA-based junction within the rate-equation approach. Selected phenomena of interest are discussed in detail. The structural asymmetry of a two-site molecule results in a rectification effect, which can be neutralized by an asymmetric voltage drop at the molecule-metal contacts due to coupling asymmetry. The results received for the poly(dG)-poly(dC) DNA molecule reveal the coupling-and temperature-independent saturation effect of the current at high voltages, establishing for short chains the inverse square distance dependence. Additionally we document the conductance peak shifting in the direction of higher voltages due to a temperature decrease.
6
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Coulomb blockade in molecular quantum dots

63%
Open Physics
|
2006
|
vol. 4
|
issue 1
8-19
EN
The rate-equation approach is used to describe sequential tunneling through a molecular junction in the Coulomb blockade regime. Such device is composed of molecular quantum dot (with discrete energy levels) coupled with two metallic electrodes via potential barriers. Based on this model, we calculate nonlinear transport characteristics (conductance-voltage and current-voltage dependences) and compare them with the results obtained within a self-consistent field approach. It is shown that the shape of transport characteristics is determined by the combined effect of the electronic structure of molecular quantum dots and by the Coulomb blockade. In particular, the following phenomena are discussed in detail: the suppression of the current at higher voltages, the charging-induced rectification effect, the charging-generated changes of conductance gap and the temperature-induced as well as broadening-generated smoothing of current steps.
Open Physics
|
2006
|
vol. 4
|
issue 2
241-253
EN
In this work we study the effect of decoherence on elastic and polaronic transport via discrete quantum states. Calculations are performed with the help of a nonperturbative computational scheme, based on Green’s function theory within the framework of polaron transformation (GFT-PT), where the many-body electron-phonon interaction problem is mapped exactly into a single-electron multi-channel scattering problem. In particular, the influence of dephasing and relaxation processes on the shape of the electrical current and shot noise curves is discussed in detail under linear and nonlinear transport conditions.
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