Selenium Passivation of the CuInSe2 for High-Efficiency Solar Cells

Abstract In this paper, selenium passivation of the CuInSe 2 for high-efficiency solar cells is studied through first-principles calculations. It is revealed that, the formation energy of Se-terminated surface and the surface with Se overlayer are different. The surface with Se overlayer are more stable, it guarantees an ideal growth that can efficiently limit the formation of point defects. It is further proved that the unique surfaces of CuInSe 2 play the critical roles on the high efficiency of the based thin film solar cell. It is the significant foundation for improving the growth of related solar cells and it is very important for the formation and control of related defects in the growth of CIS. Due to the different surface energy and property, the study of the growth of Selenium passivation of CIS is very important.