The Effect Of TiO₂to Absorption Spectrum In Dye-sensitized Solar Cells

The dye-sensitized solar cell (DSSC) is an emerging solar-energy conversion device. It has characteristics as low-cost, low pollution, high efficiency and others. In today’s increasingly tense of energy, DSSC as a widely used technology is widely concerned in the scientific community and society. A growing number of scientific and technological workers in theoretical simulation started to pay attention to the interaction of the photoelectric property of titanium dioxide crystal and dye molecules adsorbed on the above.In this paper, we introduce the general sections of the basic structure of the DSSC.the working principle, the main indicators to evaluate the DSSC device and the working principle of the main components of DSSC.The SIESTA software is very popular in simulating titanium dioxide, but it has not yet had a comprehensive and detailed Chinese tutorial. We introduced the use of the software in the general section, in which how to compile and the main parameters are described. For learners to Siesta software, this can play a helpful role.Numerical simulation by titanium dioxide crystal with SIESTA software to titanium element, pseudo-atomic orbital and pseudopotential selection is very important to the simulation results in this paper. We use the two ways of titanium atoms pseudopotential settings, in simulation of titanium dioxide nanowire structure, which result in two different results. By comparing the density of states of the dye molecules to the the software, we find default settings can not simulate the true nature of the titanium element conclusions. We proved that the TiO2in DSSC device has good quality in transfer the electron in the dye molecule.we simulated dye molecules, TiO2and the structure they absorbed together, and calculate the absorption spectrum of the structure s. by analyseing the results we find the fact that TiO2can red shift and enhance the absorption spectrum of dye molecule by absorb it in DSSC device.