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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Zinc-porphyrin based dyes for dye-sensitized solar cells
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Zinc-porphyrin based dyes for dye-sensitized solar cells

机译：用于染料敏化太阳能电池的锌卟啉基染料

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摘要

We have designed seven efficient sensitizers based on the zinc-porphyrin structure for dye sensitized solar cells (DSSCs). The geometries, electronic properties, light harvesting efficiency (LHE), and electronic absorption spectra of these sensitizers are studied using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations. We found that the designed sensitizers have smaller HOMO-LUMO energy with broadened and red-shifted absorption bands (300-1100 nm) having high molar extinction coefficient compared to the so far known best sensitizer (YD2-o-C8). The position of HOMO-LUMO energy level of these sensitizers ensures a positive effect on the process of electron injection and dye regeneration. Our theoretical calculations reveal that the new sensitizer can be used as a potential sensitizer for DSSCs compared to YD2-o-C8.
机译：我们已经设计了基于锌-卟啉结构的七种高效敏化剂，用于染料敏化太阳能电池（DSSC）。使用密度泛函理论（DFT）和时变密度泛函理论（TD-DFT）计算研究了这些敏化剂的几何形状，电子性质，光收集效率（LHE）和电子吸收光谱。我们发现，与迄今已知的最佳敏化剂（YD2-o-C8）相比，设计的敏化剂具有较小的HOMO-LUMO能量，具有宽的消光系数且具有宽的红移吸收带（300-1100 nm），具有高的摩尔消光系数。这些敏化剂的HOMO-LUMO能级位置确保了对电子注入和染料再生过程的积极影响。我们的理论计算表明，与YD2-o-C8相比，新型敏化剂可用作DSSC的潜在敏化剂。

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