Kastuar Srihari M, Ekuma Chinedu E
Department of Physics, Lehigh University, Bethlehem, PA 18015, USA.
Sci Adv. 2024 Apr 12;10(15):eadl6752. doi: 10.1126/sciadv.adl6752. Epub 2024 Apr 10.
A new generation of quantum material derived from intercalating zerovalent atoms such as Cu into the intrinsic van der Waals gap at the interface of atomically thin two-dimensional GeSe/SnS heterostructure is designed, and their optoelectronic features are explored for next-generation photovoltaic applications. Advanced ab initio modeling reveals that many-body effects induce intermediate band (IB) states, with subband gaps (~0.78 and 1.26 electron volts) ideal for next-generation solar devices, which promise efficiency greater than the Shockley-Queisser limit of ~32%. The charge carriers across the heterojunction are both energetically and spontaneously spatially confined, reducing nonradiative recombination and boosting quantum efficiency. Using this IB material in a solar cell prototype enhances absorption and carrier generation in the near-infrared to visible light range. Tuning the active layer's thickness increases optical activity at wavelengths greater than 600 nm, achieving ~190% external quantum efficiency over a broad solar wavelength range, underscoring its potential in advanced photovoltaic technology.
设计了一种新一代量子材料，通过将零价原子（如铜）插入原子级薄的二维GeSe/SnS异质结构界面处的本征范德华间隙中，并探索其光电特性以用于下一代光伏应用。先进的从头算模型表明，多体效应会诱导中间带（IB）态，其亚带隙（约0.78和1.26电子伏特）对于下一代太阳能器件来说是理想的，有望实现高于约32%的肖克利-奎塞尔极限的效率。穿过异质结的电荷载流子在能量和空间上都受到自发限制，减少了非辐射复合并提高了量子效率。在太阳能电池原型中使用这种IB材料可增强近红外到可见光范围内的吸收和载流子产生。调节有源层的厚度可增加大于600纳米波长处的光学活性，在宽广的太阳波长范围内实现约190%的外部量子效率，突出了其在先进光伏技术中的潜力。
