调整用于染料敏化太阳能电池的有机发色团的最高占据分子轨道（HOMO）和最低未占据分子轨道（LUMO）能级。
Tuning the HOMO and LUMO energy levels of organic chromophores for dye sensitized solar cells.
作者信息
Hagberg Daniel P, Marinado Tannia, Karlsson Karl Martin, Nonomura Kazuteru, Qin Peng, Boschloo Gerrit, Brinck Tore, Hagfeldt Anders, Sun Licheng
机构信息
Organic Chemistry, Center of Molecular Devices, Department of Chemistry, KTH Chemical Science and Engineering, 10044 Stockholm, Sweden.
出版信息
J Org Chem. 2007 Dec 7;72(25):9550-6. doi: 10.1021/jo701592x. Epub 2007 Nov 3.
A series of organic chromophores have been synthesized in order to approach optimal energy level composition in the TiO2-dye-iodide/triiodide system in the dye-sensitized solar cells. HOMO and LUMO energy level tuning is achieved by varying the conjugation between the triphenylamine donor and the cyanoacetic acid acceptor. This is supported by spectral and electrochemical experiments and TDDFT calculations. These results show that energetic tuning of the chromophores was successful and fulfilled the thermodynamic criteria for dye-sensitized solar cells, electrical losses depending on the size and orientation of the chromophores were observed.
为了在染料敏化太阳能电池的TiO₂-染料-碘化物/三碘化物体系中实现最佳能级组成，已合成了一系列有机发色团。通过改变三苯胺供体和氰基乙酸受体之间的共轭作用来实现最高已占分子轨道（HOMO）和最低未占分子轨道（LUMO）能级的调节。光谱和电化学实验以及含时密度泛函理论（TDDFT）计算证实了这一点。这些结果表明，发色团的能量调节是成功的，满足了染料敏化太阳能电池的热力学标准，观察到了取决于发色团大小和取向的电损耗。
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