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Formation of Thermally Stable Bulk Heterojunction by Reducing the Polymer and Fullerene Intermixing.

ABSTRACT: A morphologically stable bulk heterojunction (BHJ) with a large heterojunction area is prepared by reducing the portion of the small band gap polymer (PTB7) and fullerene intermixture through a sequential deposition (SqD) of the nanostructured PTB7 and the fullerene layer. The nanostructured PTB7 layer is prepared using a ternary solvent composed of chlorobenzene, 1,8-diiodooctane (DIO) and 1-chloronaphthalene (1-CN). Adding DIO and 1-CN enhances the ordering of PTB7 chains and results in a nanostructured polymer surface. The grazing incidence X-ray diffraction results reveal that the SqD of the nanostructured PTB7 and fullerene layers forms the BHJ with little intermixing between the polymer and the fullerene domains compared to the BHJ formed by the deposition of the blended PTB7 and fullerene solution (BSD). The OPV utilizing the SqD processed BHJ (SqD-OPV) exhibits a power conversion efficiency (PCE) of 7.43%, which is similar to that when the BSD processed BHJ (BSD-OPV) is utilized. Furthermore, the SqD-OPV exhibits an excellent thermal stability. The SqD-OPV maintains its initial PCE even after thermal annealing at 140?°C for 10 days, whereas the BSD-OPV maintains 78% of its initial efficiency under the same condition.

SUBMITTER: Jang Y

PROVIDER: S-EPMC5575051 | biostudies-literature | 2017 Aug

REPOSITORIES: biostudies-literature

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Formation of Thermally Stable Bulk Heterojunction by Reducing the Polymer and Fullerene Intermixing.

Jang Yoonhee Y Ju Cho Yun Y Kim Minjung M Seok Jeesoo J Ahn Hyungju H Kim Kyungkon K

Scientific reports 20170829 1

A morphologically stable bulk heterojunction (BHJ) with a large heterojunction area is prepared by reducing the portion of the small band gap polymer (PTB7) and fullerene intermixture through a sequential deposition (SqD) of the nanostructured PTB7 and the fullerene layer. The nanostructured PTB7 layer is prepared using a ternary solvent composed of chlorobenzene, 1,8-diiodooctane (DIO) and 1-chloronaphthalene (1-CN). Adding DIO and 1-CN enhances the ordering of PTB7 chains and results in a nano ...[more]

PMID: 28851926

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Project description:Recent efforts and progress in polymer solar cell research have boosted the photovoltaic efficiency of the technology. This efficiency depends not only on the device architecture but also on the material properties. Thus, insight into the design of novel semiconductor materials is vital for the advancement of the field. This paper looks from a theoretical viewpoint into two of the factors for the design of semiconductor materials with applications to bulk heterojunction solar cells: the charge transfer exciton binding energy and the nanoscale arrangement of donor and acceptor molecules in blend systems. Being aware that the exciton dissociation of local excitons in charge transfer states initiates the charge generation process, the excited state properties of four oligomers (one donor-type: PEO-PPV; and three donor-acceptor-types: PTFB, PTB7, and PTB7-Th) and two fullerene derivatives ([60]PCBM and [70]PCBM), previously reported in the literature as having high electrical conductance, are studied. With such a study, the donor molecules, either of donor-type or donor-acceptor type, are screened as candidates for [60]PCBM- and/or [70]PCBM-based bulk heterojunctions. The charge transfer energy and charge transfer exciton binding energy of suitable donor:acceptor bulk heterojunctions, some of them not yet fabricated, are studied. Further, the charge transfer exciton binding energies of [60]PCBM- and [70]PCBM-based blends are compared. A combination of molecular dynamics simulations with calculations based on Kohn-Sham density functional theory (KS-DFT) and its time-dependent extension (KS-TDDFT) is used. An important feature of this work is that it incorporates the effect of the environment of the quantum chemical system in KS-DFT or KS-TDDFT calculations through a polarizable discrete reaction field (DRF). Our predictions in terms of the influence of the nanoscale arrangement of donor and acceptor molecules on the performance of organic solar cells indicate that bulk heterojunction morphologies for donor-acceptor-type oligomers lead to their lowest excited states having charge transfer character. Further, we find that in terms of favorable charge transfer exciton binding energy, the PTB7-Th:[70]PCBM blends outperform the other blends.

Dataset Information

Formation of Thermally Stable Bulk Heterojunction by Reducing the Polymer and Fullerene Intermixing.

Publications

Formation of Thermally Stable Bulk Heterojunction by Reducing the Polymer and Fullerene Intermixing.

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