Milosavljević Aleksandar R, Božanić Dušan K, Sadhu Subha, Vukmirović Nenad, Dojčilović Radovan, Sapkota Pitambar, Huang Weixin, Bozek John, Nicolas Christophe, Nahon Laurent, Ptasinska Sylwia
Synchrotron SOLEIL, l'Orme des Merisiers , Saint Aubin , BP48, 91192 Gif sur Yvette Cedex, France.
Vinča Institute of Nuclear Sciences , University of Belgrade , P.O. Box 522, 11001 Belgrade , Serbia.
J Phys Chem Lett. 2018 Jul 5;9(13):3604-3611. doi: 10.1021/acs.jpclett.8b01466. Epub 2018 Jun 18.
We report an investigation of lead halide perovskite CHNHPbBr nanocrystals and associated ligand molecules by combining several different state-of-the-art experimental techniques, including synchrotron radiation-based XPS and VUV PES of free-standing nanocrystals isolated in vacuum. By using this novel approach for perovskite materials, we could directly obtain complete band alignment to vacuum of both CHNHPbBr nanocrystals and the ligands widely used in their preparation. We discuss the possible influence of the ligand molecules to apparent perovskite properties, and we compare the electronic properties of nanocrystals to those of bulk material. The experimental results were supported by DFT calculations.
我们通过结合几种不同的先进实验技术,包括基于同步辐射的X射线光电子能谱(XPS)和真空中分离的独立纳米晶体的真空紫外光电子能谱(VUV PES),报告了对卤化铅钙钛矿CH₃NH₃PbBr₃纳米晶体及相关配体分子的研究。通过使用这种针对钙钛矿材料的新颖方法,我们能够直接获得CH₃NH₃PbBr₃纳米晶体及其制备中广泛使用的配体与真空的完整能带排列。我们讨论了配体分子对表观钙钛矿性质的可能影响,并将纳米晶体的电子性质与块状材料的电子性质进行了比较。实验结果得到了密度泛函理论(DFT)计算的支持。