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Two-dimensional Janus Sn2SSe and SnGeS2 semiconductors as strong absorber candidates for photovoltaic solar cells: First principles computations
Physica E: Low-dimensional Systems and Nanostructures ( IF 2.9 ) Pub Date : 2021-07-14 , DOI: 10.1016/j.physe.2021.114900
I. Bouziani 1 , M. Kibbou 1 , Z. Haman 1 , N. Khossossi 1 , I. Essaoudi 1 , A. Ainane 1, 2, 3 , R. Ahuja 3, 4
Affiliation  

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 1.61eV, respectively. Accordingly, the considered systems, Sn2SSe and SnGeS2 single-layers, have high absorption coefficient, reaching up to 49.7 and 62.5μm1, high optical conductivity of about 4513 and 3559Ω1cm1, 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 two-dimensional Janus materials based on Tin monochalcogenides in solar cell technology.



中文翻译:

二维 Janus Sn 2 SSe 和 SnGeS 2半导体作为光伏太阳能电池的强吸收体候选:第一性原理计算

二维材料为下一代高效超薄光伏太阳能电池提供了新的机遇。在此,我们建议将 Janus 单层锡单硫族化合物,尤其是 Janus Sn 2 SSe(TA 型)和 SnGeS 2 (TB 型)纳米片作为太阳能转换的强吸收剂候选者,因为它们具有优异的电子和光学性能。有趣的是,基于第一性原理计算,Janus Sn 2 SSe 和 SnGeS 2单层都具有半导体特性,其间接和中等带隙为1.601.61电子, 分别。因此,所考虑的系统,Sn 2 SSe 和 SnGeS 2单层,具有高吸收系数,可达49.762.5μ-1, 高光导率约 45133559Ω-1C-1,以及低反射率永远不会超过 34.638.5%分别在可见光区。此外,基于 SnGeS 2和 Sn 2 SSe 纳米片的单结太阳能电池的最大光伏效率可高达27.47%28.12%, 分别。目前的杰出成果将激励理论和实验研究人员深入研究基于锡单硫属元素化物的二维 Janus 材料在太阳能电池技术中的潜在应用。

更新日期:2021-07-18
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