Effect of Alkoxy Side-Chains on Conjugated Polymer/Non-fullerene Acceptor Interfaces in Organic Solar Cells
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https://doi.org/10.1007/s11664-020-08567-z 2020 The Minerals, Metals & Materials Society
ASIAN CONSORTIUM ACCMS–INTERNATIONAL CONFERENCE ICMG 2020
Effect of Alkoxy Side-Chains on Conjugated Polymer/Nonfullerene Acceptor Interfaces in Organic Solar Cells SHEIK HASEENA1 and MAHESH KUMAR RAVVA
1,2
1.—Department of Chemistry, SRM University-AP, Amaravati, Andhra Pradesh 522508, India. 2.—e-mail: [email protected]
In this study, we have attempted to gain insights into the impact of alkoxy side-chains substituted on the end group of the non-fullerene acceptor. It has been shown by experimental studies that the length and position of these alkoxy side-chains substantially influence the power conversion efficiencies of solar cell devices. A detailed analysis has been made on how the length of the alkoxy side-chains impact the molecular packing and electronic and optical properties of conjugated polymers and non-fullerene acceptor blends using quantum chemical methods. The results obtained from this study provide information on why a particular alkoxy side-chain results in better device efficiencies. Key words: Donor–acceptor complexes, non-fullerene acceptors, conjugated polymers, density functional theory
INTRODUCTION Organic solar cells (OSCs) based on p-conjugated polymers and fullerene materials have many advantages over inorganic counterparts such as environmentally friendliness, solution processing, light weight, flexibility, and low cost.1–4 The active layer of OSCs consists of electron donor and electron acceptor materials and usually has a decisive influence on the device performance. The p-conjugated polymers composed of alternating electron-rich and electron-poor units act as electron donor materials. Fullerene or its derivatives are used as electron acceptor materials. Several strategies have been developed to improve the performance of OSCs.5–7 Energy level tuning between electron donor and electron acceptor materials and tuning the active layer’s morphology results in power conversion efficiencies (PCEs) over 12%.8 However, the PCEs of polymer-fullerene-based bulk-heterojunction solar cells (BHJs) are hindered by a few fundamental drawbacks of fullerene-based electron acceptor
(Received August 28, 2020; accepted October 13, 2020)
materials. The limitations of fullerenes and their derivatives as electron acceptor materials include weak absorption in the visible and near infra-red regions, high cost, and limited energy-level tunability, to name a few. Non-fullerene-based electron acceptors (NFAs) have emerged as an alternative to fullerene derivatives.9,10 The design and development of new NFAs offer the possibility of addressing the drawbacks of fullerene-based acceptors. Several types of NFA, such as rylene diimides and perylene diimide-based polymers and fused-ring electron acceptor molecules, are designed and used as electron acceptor materials.11–13 Among these, the fused-ring electron acceptor receives considerable attention.14 These fused-ring electron acceptor molecules consist of two elec
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