Citation:
Abstract:
The quasiparticle band structures and optical properties of ACdTS kesterite are investigated here on the basis of first-principles calculations, including the many-body effects theory, by using the GW plus Bethe-Salpeter equation. There were significant GW-quasiparticle corrections, over 0.9 eV, to the GGA-Kohn-Sham band gap. Our calculations also show that ACdTS kesterite had a small binding energy, exhibited optical absorption in the visible region, high minority carrier mobility, and large diffusion in length, rendering this material a promising candidate for solar cells. Based on these findings, we designed and implemented an ACdTS absorber in a thin-film solar cell (TFSC) structure. The new kesterite solar cell has a high efficiency of 11.6% with a low deficit in the output voltage. Moreover, a strategic combination between the particle swarm optimization approach and the ACdTS TFSC decorated with periodic nanowires is proposed to obtain significantly improved photovoltaic characteristics. The optimized design identifies a new pathway for a high conversion efficiency of 14%, far surpassing that provided by the conventional TFSC kesterite.