WS$_2$单层在基于FAPbI$_3$的异质结构中的集成
WS$_2$ Monolayer Integration in a FAPbI$_3$-based Heterostructure
AI总结：
本研究通过界面工程在基于FAPbI$_3$的异质结构中引入WS$_2$单层，显著提升了材料的光吸收、结晶质量与能带对齐，为光伏应用提供了极具潜力的候选方案。
摘要：
通过界面工程引入WS$_2$单层，增强了基于FAPbI$_3$钙钛矿异质结构的整体物理性质。采用紫外-可见光谱、X射线衍射、扫描电子显微镜和原子力显微镜对FAPbI$_3$/WS$_2$/TiO$_2$/ITO和FAPbI$_3$/TiO$_2$/ITO异质结构进行了分析。含WS$_2$中间层的构型在可见光区表现出更高的吸收率，带隙约为1.44 eV。WS$_2$还改善了FAPbI$_3$的沉积过程，促使形成纯光活性α相，无非光活性δ相或残留铅酸盐。单层的引入改善了FAPbI$_3$的晶体结构，促进了沿[100]方向的择优生长。WS$_2$的光滑表面有利于形成均匀的形貌，并使晶粒尺寸增至约4.5 μm，这是同类结构中报道的最大值。此外，所得功函数使我们提出，FAPbI$_3$与n型层之间实现了充分的能带对齐，利于电子流向阴极。这些发现表明，FAPbI$_3$/WS$_2$的界面耦合是光伏应用中的潜在候选者。
英文摘要：
Incorporating a monolayer of WS$_2$ via interface engineering enhances the overall physical properties of a FAPbI3 perovskite based heterostructure. FAPbI$_3$/WS$_2$/TiO$_2$/ITO and FAPbI$_3$/TiO$_2$/ITO heterostructures were analyzed by UV-Vis spectroscopy, X-ray diffraction, scanning electron microscopy and atomic force microscopy. The configuration with WS$_2$ interlayer presents higher absorption in the visible region with a bandgap of {\aprox} 1.44 eV. WS$_2$ also enhances the deposition process of FAPbI$_3$, resulting in the formation of pure photoactive $α$-phase without the non-photoactive $δ$-phase nor residual plumbates. The incorporation of the monolayer improves the crystalline structure of the FAPbI$_3$, promoting a preferential growth in the [100] direction. The smooth surface of WS$_2$ favors a homogeneous morphology and an increase of the grain size to ~4.5 $μ$m, the largest reported for similar structures. Furthermore, the work function obtained lets us propose an enhance an adequate energy band alignment between FAPbI$_3$ and the n-type layers for the electron flux to the cathode. These findings strongly suggest that the interfacial coupling of FAPbI$_3$/WS$_2$ could be a promising candidate in photovoltaic applications.
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