Navegando por Assunto "Espectroscopia de voltagem de transição"

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Acesso aberto (Open Access)
Estudo do transporte eletrônico em nanoestruturas baseadas em carotenoides e tétrades com fulereno C60
(Universidade Federal do Pará, 2013-04-09) ALEIXO, Vicente Ferrer Pureza; DEL NERO, Jordan; http://lattes.cnpq.br/5168545718455899
In this work it is presented a theoretical study on the electronic structure of a fullerene molecule (C60) with junctions in four terminals based on groups electron donors. tetrathiafulvalene (TTF) – and groups acceptors of electrons – fenilpropanodinilla (FPP) and molecular devices based on Carotenoid derivatives. The transport mechanism investigated for the carotenoids derivatives were utilized for better understanding of Fowler-Nordheim (FN) and Millikan-Lauritsen (ML) plots for the systems based in fullerene C60. In all cases it was possible to confirm that the Millikan- Lauritsen (ML) analysis empirical is also sufficient to describe all aspects the transition voltage spectroscopy (TVS). To study this class of systems, optimize the geometry systematically and observe the electronic transfer calculated by Hartree-Fock and Density Functional Theory (DFT). The results show through a detailed analysis of the molecular charge rearrangement due to an external electric field shows that the charge transport is directly on to the type of junction that this system is submitted of form that the applied voltage suffices to create a saturation potential in the systems in study: fullerene C60 with three terminals of tetrathiafulvalene and one terminal of fenilpropanodinilla (C60-(TTF)3-FPP); fullerene C60 with four terminals of fenilpropanodinilla (C60-(FPP)4). The particularity observed in C60-(FPP)4 is the disposal of the structure to operate with rectifying character for the electronic transport in the presence of orthogonal electric field to terminal data. The results show that we have a Molecular rectifier that works as a macroscopic rectifier.
Acesso aberto (Open Access)
Transporte de portadores minoritários que justificam o regime de ressonância eletrônica em sistemas de carbynes
(Universidade Federal do Pará, 2016-02-24) OLIVEIRA, Antonio Wanderley; CAVALCANTE, Gervásio Protásio dos Santos; http://lattes.cnpq.br/2265948982068382; DEL NERO, Jordan; http://lattes.cnpq.br/5168545718455899
One of the goals for the expansion of knowledge in molecular electronics may be found in the Project related to the creation of nanoscale circuits based on nonlinear current–voltage characteristics composed by molecules connected to metallic electrodes under the action of an external electric field. The development of molecular electronic devices using systems exhibiting similar feature as intrinsic semiconductor materials is one of the goals to be achieved by an extensive research in nanotechnology. Thus, this work aims at expanding of knowledge not only of the electronic transport, but also the physical features that justify the resonant regime for electronic transport, such as conductance and Transition Voltage Spectroscopy. We theoretically investigate the electronic charge transport in a molecular system composed by carbyne structures taking into account the variations in the bonds −𝐶≡𝐶− type (simple and triple bonds for each carbon). Ab initio calculations approximations are performed to investigate the distribution of electron states over the molecule in the presence of an external electric field. This new nanoelectronic device raise up advantage for the design of large 1D hybrid organic/metallic circuits with an increased electronic flow that is importante for the needs of nanotechnology.