Two-dimensional janus Sn2SSe and SnGeS2 semiconductors as strong absorber candidates for photovoltaic solar cells: first principles computations

Abstract

Two-dimensional materials provide new opportunities for the next generation of effective and ultrathin photovoltaic solar cells. Herein, we propose Janus monolayers of Tin monochalcogenides, especially Janus Sn2SSe (type TA) and SnGeS2 (type TB) nanosheets, as strong absorber candidates for solar energy conversion, referring to their excellent electronic and optical properties. Interestingly, based on the first-principles computations, both Janus Sn2SSe and SnGeS2 monolayers possess semiconductor character with indirect and moderate band gaps of 1.60 and 1.61 eV, respectively. Accordingly, the considered systems, Sn2SSe and SnGeS2 single-layers, have high absorption coefficient, reaching up to 49.7 and 62.5 μm− 1, high optical conductivity of about 4513 and 3559 Ω− 1cm− 1, as well as low reflectivity never exceed 34.6 and 38.5 % in visible region, respectively. Additionally, the maximum photovoltaic efficiency of single-junction solar cells based on SnGeS2 and Sn2SSe nanosheets can reach as high as 27.47 % and 28.12 %, respectively. The present outstanding results would motivate both theoretical and experimental researchers to deepen the study of the potential applications of twodimensional Janus materials based on Tin monochalcogenides in solar cell technology