Unified assay of adverse effects from the varied nanoparticle hybrid in polymer–fullerene organic photovoltaics

Huang, Yu‐Jui; Lo, Wei-Chun; Liu, Shun‐Wei; Cheng, Chao-Han; Chen, Chin‐Ti; Wang, Juen-Kai

doi:10.1016/j.solmat.2013.03.031

Cited by 19 publications

(7 citation statements)

References 69 publications

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“…The [6,6]phenyl-C 60 -butyric acid methyl ester (abbreviated as PCBM) will be used as the electron-acceptor material, which is an excellent electron transporter with a LUMO energy (−3.95 eV 53 ) that is both high enough to support a large photo-voltage, given that V OC is limited by the energy difference between donor HOMO and acceptor LUMO, but also low enough to provide ohmic contacts for electron extraction and injection from common cathode electrons 54 . The HOMO and LUMO values of the electron-acceptor component PCBM are experimentally reported in 53,[55][56][57][58][59] ; these are in good agreement with those calculated theoretically in this work and reported in the Table V (−5.91 eV/−3.85 eV respectively).…”

Section: Electronic Propertiessupporting

confidence: 89%

Photophysical Properties of BODIPY-derivatives for the Implementation of Organic Solar Cells: A Computational Approach

Madrid-Usuga,

Ortiz,

Reina

2021

Preprint

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Solar cells based on organic compounds are a proven emergent alternative to conventional electrical energy generation. Here, we provide a computational study of power conversion efficiency optimization of BODIPY-derivatives by means of their associated open circuit voltage, short-circuit density, and fill factor. In so doing, we compute for the derivatives' geometrical structures, energy levels of frontier molecular orbitals, absorption spectra, light collection efficiencies, and exciton binding energies, via density functional theory (DFT) and time dependent (TD)-DFT calculations. We fully-characterize four D-π-A (BODIPY) molecular systems of high efficiency and improved Jsc that are well suited for integration into bulk heterojunction (BHJ) organic solar cells as electron-donor materials in the active layer. Our results are two-fold: We found that molecular complexes with an structural isoxazoline ring exhibit a higher power conversion efficiency (PCE), a useful result for improving the BHJ current, and, on the other hand, by considering the molecular systems as electron-acceptor materials, with P3HT as the electron-donor in the active layer, we found a high PCE compound favorability with a pyrrolidine ring in its structure, in contrast to the molecular systems built with an isoxazoline ring. The theoretical characterization of the electronic properties of the BODIPY-derivatives here provided, computed with a combination of ab-initio methods and quantum models, can be readily applied to other sets of molecular complexes in order to hierarchize optimal power conversion efficiency.

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Section: Electronic Propertiessupporting

confidence: 89%

Photophysical Properties of BODIPY-derivatives for the Implementation of Organic Solar Cells: A Computational Approach

Madrid-Usuga,

Ortiz,

Reina

2021

Preprint

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“…We emphasise that despite being the most investigated organic photovoltaic system to date, the discrepancies in the representation of the energetic level diagram of this system persist with a large scatter of energy values reported in literature. [90][91][92] Following the evolution of the energetic landscape of the BHJ reveals two interfacial effects. Starting at the interface with ZnO, a dipole can be observed through which the work function of ZnO (3.6 eV) is increased to 4.0 eV due to charge transfer to the PC60BM, or possibly due to polarization effects, 29 in agreement with previous reports.…”

Section: Combined Xps and Ups Depth Profiling Of A P3ht/pc60bm Bilaye...mentioning

confidence: 99%

Visualizing the Vertical Energetic Landscape in Organic Photovoltaics

Lami

Weu

Zhang

et al. 2019

Joule

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Energy level diagrams in organic electronic devices play a crucial role in device performance and interpretation of device physics. In the case of organic solar cells, it has become routine to estimate the photovoltaic gap of the donor:acceptor blend using the energy values measured on the individual blend components, resulting in a poor agreement with the corresponding open-circuit voltage of the device. To address this issue, we developed a method that allows a direct visualisation of the vertical energetic landscape in the blend, obtained by combining ultraviolet photoemission spectroscopy and argon cluster etching. We investigate both model and high-performance photovoltaic systems and demonstrate that the resulting photovoltaic gaps are in close agreement with the measured CT energies and open-circuit voltages. Furthermore, we show that this method allows us to study the evolution of the energetic landscape upon environmental degradation, critically important for understanding degradation mechanisms and development of mitigation strategies.

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“…The maximum absorption peaks of all the P3HT films were at about 513 nm (2.41 eV), corresponding to - * band, and two vibronic absorption shoulders appeared at 550 nm (2.25 eV) and 600 nm (2.07 eV) (Figure 4(a)). The appearance of the vibronic features is the signature of the close packing of P3HT polymer chain in the condensed phase [28], indicating that there is small ordering in the chains of all the P3HT films. Furthermore, a shift of the 513 nm absorbance peaks towards higher wavelengths was given for the samples synthesized for 1 h with and without MW, suggesting a decrease in energy gap related to increased conjugation chain [29].…”

Section: Resultsmentioning

confidence: 99%

Effect of Microwave Radiation on the Synthesis of Poly(3-hexylthiophene) and the Subsequent Photovoltaic Performance of CdS/P3HT Solar Cells

García-Escobar

Nicho

et al. 2016

International Journal of Polymer Science

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Poly(3-hexylthiophene) (P3HT) is a semiconductor polymer that has been proved to be a good electron donor in organic or hybrid solar cells. In this work, a detailed study of P3HT synthesis in CH2Cl2solvent by oxidative method with and without MW assistance has been conducted. Effects of synthesis process parameters on the physical properties of P3HT products and their application in hybrid CdS/P3HT photovoltaic devices were studied. It is observed that the use of MW as well as the reaction time affected the reaction yield and properties of the polymer products. It was found that, by the traditional method (without MW), the maximum yield and the properties of the polymer products were similar after 2 h or 24 h of synthesis. The optimal reaction time with MW for P3HT polymerization in CH2Cl2solvent was 1 h, and the obtained P3HT product showed similar or better properties than those P3HT polymers synthesized by the traditional method in the same solvent. The effect of using MW during the synthesis was to increase yield and crystal size of P3HT. Larger energy conversion efficiency of ITO/CdS/P3HT/CP-Au devices was obtained when the P3HT product had higher molecular weight and head/tail-head/tail (HT-HT) triad contents.

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Unified assay of adverse effects from the varied nanoparticle hybrid in polymer–fullerene organic photovoltaics

Cited by 19 publications

References 69 publications

Photophysical Properties of BODIPY-derivatives for the Implementation of Organic Solar Cells: A Computational Approach

Photophysical Properties of BODIPY-derivatives for the Implementation of Organic Solar Cells: A Computational Approach

Visualizing the Vertical Energetic Landscape in Organic Photovoltaics

Effect of Microwave Radiation on the Synthesis of Poly(3-hexylthiophene) and the Subsequent Photovoltaic Performance of CdS/P3HT Solar Cells

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