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EN
nextnano^3 is a simulation tool that aims at providing global insight into the basic physical properties of realistic three-dimensional mesoscopic semiconductor structures. It focuses on quantum mechanical properties such as the global electronic structure, optical properties, and the effects of electric and magnetic fields for virtually any geometry and combination of semiconducting materials. For the calculation of the carrier dynamics a drift-diffusion model based on a quantum-mechanically calculated density is employed. In this paper we present an overview of the capabilities of nextnano^3 and discuss some of the main equations that are implemented into the code. As examples, we first discuss the strain tensor components and the piezoelectric effect associated with a compressively strained InAs layer for different growth directions, secondly, we calculate self-consistently the quantum mechanical electron density of a Double Gate MOSFET, then we compare the intersubband transitions in a multi-quantum well structure that have been obtained with a single-band effective mass approach and with an 8-band k·p model, and finally, we calculate the energy spectrum of a structure in a uniform magnetic field.
EN
In the present work, the fabrication and characterization of non-curling, free-standing TiO_2 nanotube membranes and their integration in front-side illuminated dye-sensitized solar cells are reported. Vertically oriented TiO_2 nanotube arrays were fabricated by anodic oxidation of a titanium foil. Nanotube membranes were detached from the metallic foil, transferred and bonded on transparent fluorine-doped tin oxide/glass substrates employing a TiO_2 sol as a binder. Crystalline phase and morphology of the film were investigated, evidencing the formation of a highly ordered 1D nanotubes carpet, with a pure anatase crystalline structure. TiO_2 nanotube-based DSCs were fabricated using reversible microfluidic architecture. The cell performances were studied by I-V electrical characterization, incident-photon-to-electron conversion efficiency, electrochemical impedance spectroscopy and open circuit voltage decay measurements, showing an increase in electron lifetime compared to nanoparticle-based dye-sensitized solar cells.
EN
We propose a 3D branched ZnO nanostructure for the fabrication of highly efficient dye-sensitized solar cell photoanodes. A coral-shaped structured Zn layer was deposited by radio frequency magnetron sputtering at room temperature onto fluorine-doped tin oxide/glass sheets and then thermally oxidized in ambient atmosphere, obtaining a high-density branched ZnO film. The porous structure provides a large surface area, and, as a consequence, a high number of adsorption sites, and the size and spacing of the nanostructures (on the order of the exciton diffusion length) are optimal for good electron collection efficiency. The proposed synthesis technique is simple and scalable and the reproducibility of the growth results was tested. The crystalline phase of the film was investigated, evidencing the complete oxidation and the formation of a pure wurtzite crystalline structure. ZnO-based solar harvesters were fabricated in a microfluidic architecture, using conventional sensitizer and electrolyte. The dependence of the cell efficiency on dye incubation time and film thickness was studied with I-V electrical characterization and electrochemical impedance spectroscopy. The obtained conversion efficiency values, with a maximum value of 4.83%, confirm the highly promising properties of this material for the implementation in dye-sensitized solar cell photoanodes.
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