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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Copper-based redox shuttles supported by preorganized tetradentate ligands for dye-sensitized solar cells
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Copper-based redox shuttles supported by preorganized tetradentate ligands for dye-sensitized solar cells

机译：用于染料敏化太阳能电池的预混合四烯配体支撑的铜基氧化还原梭

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摘要

Three copper redox shuttles ([Cu(1)](2+/1+), [Cu(2)](2+/1+), and [Cu(3)](2+/1+)) featuring tetradentate ligands were synthesized and evaluated computationally, electrochemically, and in dye-sensitized solar cell (DSC) devices using a benchmark organic dye, Y123. Neutral polyaromatic ligands with limited flexibility were targeted as a strategy to improve solar-to-electrical energy conversion by reducing voltage losses associated with redox shuttle electron transfer events. Inner-sphere electron transfer reorganization energies (lambda) were computed quantum chemically and compared to the commonly used [Co(bpy)(3)](3+/2+) redox shuttle which has a reported lambda value of 0.61 eV. The geometrically constrained biphenyl-based Cu redox shuttles investigated here have lower reorganization energies (0.34-0.53 eV) and thus can potentially operate with lower driving forces for dye regeneration (Delta G(reg)) in DSC devices when compared to [Co(bpy)(3)](3+/2+)-based devices. The rigid tetradentate ligand design promotes more efficient electron transfer reactions leading to an improved J(SC) (14.1 mA cm(-2)), higher stability due to the chelate effect, and a decrease in V-OC(loss) for one of the copper redox shuttle-based devices.
机译：三个铜氧化还原梭（[Cu（1）]（2 + / 1 +），[Cu（2）]（2 + / 1 +）和[Cu（3）]（2 + / 1 +）），具有四元度使用基准有机染料Y123来计算和评估配体和评估染料敏化的太阳能电池（DSC）器件。具有有限的柔韧性的中性多芳族配体作为通过减少与氧化还原供电电子传递事件相关的电压损耗来改善太阳能电能转换的策略。内球电子转移重组能（拉姆达）进行了计算量子化学和相比于通常使用的[CO（BPY）（3）]（3 + / 2 +）氧化还原梭具有0.61 2eV的报告的λ值。的几何约束联苯铜基氧化还原往复剂这里研究的具有较低的重组能（0.34-0.53电子伏特），因而能够以更低的驱动力染料再生潜在操作（德​​尔塔G（REG））在DSC设备时相比[CO（BPY ）（3）]（3 + / 2 +）的设备。刚性四齿配体设计促进了更有效的电子转移反应，导致j（sc）的改进（14.1 mA cm（-2）），由于螯合效应的较高稳定性，以及其中一个的V-oc（损失）降低铜氧化还原梭式设备。

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