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Unprecedentedly targeted customization of molecular energy levels with auxiliary-groups in organic solar cell sensitizers.

ABSTRACT: In dye-sensitized solar cells (DSSCs), the HOMO-LUMO energy gap of organic sensitizers should be large enough to enable efficient electron injection and dye regeneration. However, the LUMOs of most practical organic dyes are always too high, making energy "waste". In order to deepen the LUMOs, we focus on the targeted modulation of the molecular energy levels by embedding an electron donor or acceptor into the skeleton of a typical D-π-A model. The electron-rich group of 3,4-ethylenedioxythiophene (EDOT) lifts up the HOMO level with little influence on the LUMO, while the electron-deficient group of benzothiadiazole (BTD) or benzooxadiazole (BOD) mainly lowers the customized LUMO level. As a consequence, the auxiliary group change from EDOT (dye WS-53) to BOD (dye WS-55) brings forth a huge photoelectric conversion efficiency (PCE) increase by 38 fold from 0.24 to 9.46% based on an I-/I3- redox couple, and even reaching a high PCE of 10.14% with WS-55 under 0.3 sunlight irradiation.

SUBMITTER: Xie Y

PROVIDER: S-EPMC5952894 | biostudies-literature | 2016 Jan

REPOSITORIES: biostudies-literature

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Unprecedentedly targeted customization of molecular energy levels with auxiliary-groups in organic solar cell sensitizers.

Xie Yongshu Y Wu Wenjun W Zhu Haibo H Liu Jingchuan J Zhang Weiwei W Tian He H Zhu Wei-Hong WH

Chemical science 20151009 1

In dye-sensitized solar cells (DSSCs), the HOMO-LUMO energy gap of organic sensitizers should be large enough to enable efficient electron injection and dye regeneration. However, the LUMOs of most practical organic dyes are always too high, making energy "waste". In order to deepen the LUMOs, we focus on the targeted modulation of the molecular energy levels by embedding an electron donor or acceptor into the skeleton of a typical D-π-A model. The electron-rich group of 3,4-ethylenedioxythiophe ...[more]

PMID: 29896346

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Project description:Metal-organic framework nanosheets (MONs) have proved themselves to be useful additives for enhancing the performance of a variety of thin film solar cell devices. However, to date only isolated examples have been reported. In this work we take advantage of the modular structure of MONs in order to resolve the effect of their different structural and optoelectronic features on the performance of organic photovoltaic (OPV) devices. Three different MONs were synthesized using different combinations of two porphyrin-based ligands meso-tetracarboxyphenyl porphyrin (TCPP) or tetrapyridyl-porphyrin (TPyP) with either zinc and/or copper ions and the effect of their addition to polythiophene-fullerene (P3HT-PC71BM) OPV devices was investigated. The power conversion efficiency (PCE) of devices was found to approximately double with the addition of MONs of Zn2(ZnTCPP) -4.7% PCE, 10.45 mA/cm2 short-circuit current density (JSC), 0.69 open-circuit voltage (VOC), 64.20% fill-factor (FF), but was unchanged with the addition of Cu2(ZnTPyP) (2.6% PCE, 3.68 mA/cm2 JSC, 0.59 VOC, 46.27% FF) and halved upon the addition of Cu2(CuTCPP) (1.24% PCE, 6.72 mA/cm2 JSC, 0.59 VOC, 56.24% FF) compared to devices without nanosheets (2.6% PCE, 6.61 mA/cm2 JSC, 0.58 VOC, 56.64% FF). Our analysis indicates that there are three different mechanisms by which MONs can influence the photoactive layer - light absorption, energy level alignment, and morphological changes. Analysis of external quantum efficiency, UV-vis and photoelectron spectroscopy data found that MONs have similar effects on light absorption and energy level alignment. However, atomic force and Raman microscopy studies revealed that the nanosheet thickness and lateral size are crucial parameters in enabling the MONs to act as beneficial additives resulting in an improvement of the OPV device performance. We anticipate this study will aid in the design of MONs and other 2D materials for future use in other light harvesting and emitting devices.

Dataset Information

Unprecedentedly targeted customization of molecular energy levels with auxiliary-groups in organic solar cell sensitizers.

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Unprecedentedly targeted customization of molecular energy levels with auxiliary-groups in organic solar cell sensitizers.

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