TiO2- and ZnO-based solar cells using a chlorophyll a derivative sensitizer for light-harvesting and energy conversion
TiO2- and ZnO-based solar cells using a chlorophyll a derivative sensitizer for light-harvesting and energy conversion
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DOI：
10.1016/j.jphotochem.2010.01.004
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发表时间：
2010-02-25
影响因子：
4.3
通讯作者：
Tamiaki, Hitoshi
中科院分区：
文献类型：
--
作者：
Wang, Xiao-Feng;Kitao, Osamu;Tamiaki, Hitoshi
制备了叶绿素a衍生物（反式-3（2）-羧基焦脱镁叶绿酸a甲酯）敏化的TiO 2和ZnO基太阳能电池并进行了比较。TiO 2系太阳能电池与ZnO系太阳能电池相比，短路光电流（J（sc））、开路光电压（V-oc）、能量-电力转换效率（eta）的值高。所观察到的染料敏化半导体电极上的ATR-FTIR数据和从密度泛函理论（DFT）估计的光谱表明，染料敏化剂结合到二氧化钛与双齿螯合和单齿模式，但结合到ZnO的单齿模式排他。结合到半导体的染料分子的前线轨道表明，染料敏化剂的HOMO-2和LUMO + 2轨道不参与染料-ZnO系统的电子转移过程，导致较低的J（sc）值和相对窄的响应入射光子到太阳能电池中的电流转换效率。过渡组分分析的基础上的时间依赖的DFT结果很好地解释了实验的UV-vis光谱和染料敏化太阳能电池之间的eta值的差异基于TiO 2和ZnO纳米晶电极材料。(C)2010 Elsevier B. V.保留所有权利。
TiO2- and ZnO-based solar cells sensitized by a chlorophyll a derivative (methyl trans-3(2)-carboxypyropheophorbide a) were fabricated and compared. The TiO2-based solar cell produces higher values for the short-circuit photocurrent (J(sc)), open-circuit photovoltage (V-oc), and energy-to-electricity conversion efficiency (eta) than the ZnO-based solar cell. The observed ATR-FTIR data on the dye-sensitized semiconductor electrodes and the spectra estimated from the density functional theory (DFT) suggest that the dye sensitizer is bound to TiO2 with both the bidentate chelating and monodentate modes but is bound to ZnO with the monodentate mode exclusively. The frontier orbitals of the dye molecule bound to semiconductors suggest that the HOMO-2 and LUMO + 2 orbitals of the dye sensitizer do not participate in electron transfer processes for the dye-ZnO system, resulting in a lower J(sc) value and a relatively narrow response for the incident photon-to-current conversion efficiency in the solar cell. Transition component analysis based upon the time-dependent DFT results explains well the experimental UV-vis spectra and difference in the eta values between the dye-sensitized solar cells based upon TiO2 and ZnO nanocrystalline electrode materials. (C) 2010 Elsevier B.V. All rights reserved.