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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Porphyrin Dyes on TiO_2 Surfaces with Different Orientations: A Photophysical, Photovoltaic, and Theoretical Investigation
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Porphyrin Dyes on TiO_2 Surfaces with Different Orientations: A Photophysical, Photovoltaic, and Theoretical Investigation

机译：不同取向的TiO_2表面上的卟啉染料：光物理，光伏和理论研究

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摘要

Porphyrin dyes with a triphenylamino group as an electron donor, para- or meta-benzoic acids as electron acceptors, and hydrogen (H) or mesityl (M) substituents on the meso position as auxiliary groups were synthesized. Their photophysical properties and photovoltaic performance in dye-sensitized solar cells were investigated. All four porphyrins exhibited similar photophysical properties in the solution and dye-loading densities on the surface of TiO_2 nanoparticles; however, the p-benzoic acid functionalized porphyrins, p-H(M)PZn, gave better photovoltaic performance than m-benzoic acid functionalized porphyrins, m-H(M)PZn. Theoretical calculations indicated that the electron density on the frontier molecular orbital was more delocalized to p-benzoic acid than to m-benzoic acid. Absorption spectra indicated the stronger H-aggregation in m-H(M)PZn than that in p-H(M)PZn on the surface of TiO_2 nanoparticles. The mesityl groups in the meso positions reduced the dye-loading density due to steric hindrance between dyes. As a result, the p-MPZn exhibited the best energy conversion efficiency among the four porphyrins studied. This efficiency was further enhanced when a complementary dye BET was used.
机译：合成了具有三苯氨基基团作为电子供体，对苯甲酸或间苯甲酸作为电子受体，在介孔位置上的氢（H）或均三（M）取代基作为辅助基团的卟啉染料。研究了它们在染料敏化太阳能电池中的光物理性质和光伏性能。四种卟啉在溶液中均表现出相似的光物理性质，并且在TiO_2纳米粒子的表面上具有较高的染料负载密度。然而，对苯甲酸官能化的卟啉p-H（M）PZn的光电性能优于间苯甲酸官能化的卟啉m-H（M）PZn。理论计算表明，前沿分子轨道上的电子密度更局域化为对苯甲酸而不是间苯甲酸。吸收光谱表明，在TiO_2纳米颗粒表面上，m-H（M）PZn中的氢聚集比p-H（M）PZn中的强。由于染料之间的空间位阻，内消旋位置上的均一基团降低了染料装载密度。结果，在所研究的四种卟啉中，p-MPZn表现出最佳的能量转换效率。当使用互补染料BET时，该效率进一步提高。

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