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Theoretical and Experimental Research on Cu(InxGa1-x)Se2and Cu2ZnSn(S/Se)4Solar Cell Thin Films

Author: LiMiaoMiao
Tutor: ChangFangGao; WangTianXing
School: Henan Normal
Course: Materials Physics and Chemistry
Keywords: magnetron sputtering CIGS Se target DFT electrical characteristics opticalproperties
CLC: TM914.4
Type: Master's thesis
Year: 2012
Downloads: 207
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Abstract


Cu(InxGa1-x)Se2and Cu2ZnSn(S/Se)4solar cells are the representative photovoltaic device withlow cost, stability and high efficiency. After more than30years development, the highest conversionefficiency of Cu(InxGa1-x)Se2is up to20.3%, but it did not realize industrialization because of the difficultyto prepare absorbing layer CIGS which plays an important role in the CIGS solar cell. As a result of In andGa are costly metals, scientists are looking for the new elements to replace them. CZTS and CZTSe are thepromising alternative materials, the electronic structure and optical properties of which have beencomputed by the density functional theory (DFT).This thesis was divided into two parts. In the first part, CIGS thin films were prepared bymagnetron sputtering. The crystal structure, surface morphology and composition ratio were measured byX-ray diffraction (XRD), atomic force microscope (AFM), scanning electron microscope (SEM) andenergy disperse spectroscopy (EDS), respectively. Also, we explored the optimum condition of backelectrode layer, buffer layer and window layer. In the second part, the geometry structure parameters ofCu2ZnSnS4(CZTS) and Cu2ZnSnSe4(CZTSe) were optimized by means of plane wave ultrasoftpseudo-potential method with generalized gradient approximation (GGA) under the density functionaltheory (DFT). The density of states, adsorption coefficient, dielectric function, refractive index, reflectivity,conductivity and loss function were also calculated. The results indicate that:(1) The growth and crystallization of CIS thin films are largely rely on the sputtering andannealing temperature. As the substrate temperature gets higher, the mobility of the sputtering particles isenhanced to restrain the dislocation at the interface and improve the crystallization. The results show thatCIS thin films with high crystallinity have been achieved by annealing at560℃, and570℃.(2) The chalcopyrite structure, good surface morphology and proper stoichiometric ratio for theCIGS thin films were obtained by sputtering CuIn, CuGa and Se targets with high substrate temperature.(3) The calculated results show CZTS and CZTSe crystals are both direct band gap materials andCZTS is0.5eV larger than CZTSe, which is closer to the optimized band gap.(4) CZTS and CZTSe have absorption peaks with105cm-1orders of magnitude in the UV-light. In the visible light, the absorption coefficient of them exceeds104cm-1and CZTSe is a little higher than CZTS,which is an advantage in the solar cells.(5) The band gap of CZTS is larger than CZTSe, making the dielectric function curve slightlymove to the direction of high energy. These peaks of the curves are closely related to the direct or indirecttransition of electrons.

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CLC: > Industrial Technology > Electrotechnical > Independent power supply technology (direct power) > Photocell > Solar cells
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