Department of Physics and Materials Science, Uppsala University, Box 530, 752 21 Uppsala, Sweden.
Phys Chem Chem Phys. 2010 Feb 21;12(7):1507-17. doi: 10.1039/b913548k. Epub 2010 Jan 6.
The electronic and molecular properties of three organic dye molecules with the general structure donor-linker-anchor have been investigated using core level photoelectron spectroscopy (PES). The molecules contain a diphenylaniline donor unit, a thiophene linker unit, and cyanoacrylic acid or rhodanine-3-acetic acid anchor units. They have been investigated both in the form of a multilayer and adsorbed onto nanoporous TiO(2) and the experimental results were also compared with DFT calculations. The changes at the dye-sensitized TiO(2) surface due to the modification of either the donor unit or the anchor unit was investigated and the results showed important differences in coverage as well as in electronic and molecular surface properties. By measuring the core level binding energies, the sub-molecular properties were characterized and the result showed that the adsorption to the TiO(2) influences the energy levels of the sub-molecular units differently.
使用核心能级光电子能谱（PES）研究了具有通用结构给体-连接体-锚的三种有机染料分子的电子和分子性质。这些分子包含二苯胺给体单元、噻吩连接体单元以及氰基丙烯酸或罗丹宁-3-乙酸锚定单元。它们以多层形式和吸附在纳米多孔 TiO(2)上进行了研究，实验结果还与 DFT 计算进行了比较。研究了由于供体单元或锚定单元的修饰而在染料敏化 TiO(2)表面引起的变化，结果表明在覆盖率以及电子和分子表面性质方面存在重要差异。通过测量核心能级结合能，对亚分子性质进行了表征，结果表明吸附到 TiO(2)上会对亚分子单元的能级产生不同的影响。
