Oxygen Intercalation Induced by Photocatalysis on the Surface of Hybrid Lead Halide Perovskites
Oxygen Intercalation Induced by Photocatalysis on the Surface of Hybrid Lead Halide Perovskites
复制标题
杂化卤化铅钙钛矿表面光催化诱导插氧
DOI：
10.1021/acs.jpcc.6b00496
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发表时间：
2016-04-14
影响因子：
3.7
通讯作者：
Wu, Huizhen
中科院分区：
文献类型：
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作者：
Kong, Weiguang;Rahimi-Iman, Arash;Wu, Huizhen
甲基碘化铅铵（MAPbI 3）钙钛矿已成为太阳能电池领域令人眼花缭乱的新星。然而，暴露于不同环境的材料的鲁棒性或稳定性是一个关键问题。在本文中，共振拉曼光谱相结合的表面和块体晶体表征来解释MAPbI 3的表面上的氧嵌入现象。我们观察到，氧气可以插入MAPbI 3的框架与激光激发的帮助。通过降低实验室中的压力，可以容易地去除嵌入的氧。X射线光电子能谱和X射线衍射表征表明，Pb-O键主要形成在MAPbI 3表面，但受到限制，避免PbO化合物的形成。基于密度泛函理论的量子化学计算支持了上述结论。对MAPbI_3插氧机理的认识，将有助于提高这一重要太阳能电池的稳定性。
Methylammonium lead iodide (MAPbI3) perovskite has emerged as a dazzling nova in the solar cell realm. However, the robustness or stability of the material exposed to different ambiences is a key issue. In this paper, resonance Raman spectroscopy is combined with surface and bulk crystal characterizations to interpret the oxygen intercalation phenomenon on the surface of MAPbI3. We observe that oxygen can intercalate into the frameworks of MAPbI3 with the assistance of laser excitation. By lowering down the pressure in the experimental chamber, the intercalated oxygen can be readily removed. X-ray photoelectron spectroscopy and X-ray diffraction characterizations suggest that Pb–O bonds are mainly formed on the surface of MAPbI3 but are constrained to avoid the formation of PbO compound. The quantum chemical calculation based on density functional theory supports the above conclusions. The understanding of oxygen intercalation in MAPbI3 shall benefit the improvement of stability of the important solar cel...