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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

π-Extension and chlorination of non-fullerene acceptors enable more readily processable and sustainable high-performance organic solar cells

Organic solar cells (OSCs) processed without halogenated solvents and complex treatments are essential for future commercialization. Herein, we report three novel small molecule acceptors (NFAs) consisting of a Y6-like core but with π-extended naphthalene with progressively more chlorinated end-capping groups and a longer branched chain on the Nitrogen atom. These NFAs exhibit good solubilities in non-chlorinated organic solvents, broad optical absorptions, close π-π stacking distances (3.63–3.84 Å), and high electron mobilities (~10 -3 cm 2 V -1 s -1 ). Further, the o-xylene processed and as-cast binary devices using PM6 as the donor polymer exhibit a PCE increasing upon progressive chlorination of the naphthalene end-capping group from 8.93% for YN to 14.38% for YN-Cl to 15.00% for YN-2Cl. Furthermore similarly processed ternary OSCs were fabricated by employing YN-Cl and YN-2Cl as the third component of PM6:CH1007 blends (PCE = 15.75%). Compared to all binary devices, the ternary PM6:CH1007:YN-Cl (1:1:0.2) and PM6:CH1007:YN-2Cl (1:1:0.2) cells exhibit significantly improved PCEs of 16.49% and 15.88%, respectively, which are among the highest values reported to date for non-halogenated solvent processed OSCs without using any additives and blend post-deposition treatments.

14 SOLAR ENERGY↗
DOE OSTI2023

Tuning the Intermolecular Electrostatic Interaction toward High-Efficiency and Low-Cost Organic Solar Cells

Organic solar cells (OSCs) have achieved much progress with rapidly increasing power conversion efficiencies (PCEs). It should be noted that the top-performance OSCs are generally consisted of active materials with complex chemical structures, resulting in high costs. Here, combining the material design and morphology control, high-efficiency OSCs are fabricated by a low-cost donor: acceptor blend. A completely non-fused electron acceptor named Tz is designed and synthesized via introducing thiazole units on both sides of a bithiophene core, which shows an outstanding PCE of 13.3% with a typical polythiophene donor. More importantly, optimization guidelines are presented to get excellent morphology for low-cost donor:acceptor systems. Three polythiophenes are selected, poly(3-hexylthiophene) and its two derivatives with electron-withdrawing substitutions (PDCBT and PDCBT-2F), as donors to fabricate the cell devices. The computational and experimental data reveal that decreasing the electrostatic interaction between polythiophene and Tz is the key to getting a suppressed miscibility and thus a high phase purity. Finally, this study provides insight into the molecular design and donor:acceptor matching requirements for high-efficiency and low-cost OSCs.

14 SOLAR ENERGY↗
DOE OSTI2023

Modulating the Mixing Gibbs Free Energy to Enhance Solid–Liquid Phase Separation for High–Performance Organic Solar Cells

Organic solar cells (OSC) feature a hierarchical structure with the electron donor/acceptor layer sandwiched by anode and cathode, which raises the importance of controlling the molecular crystal orientation, domain size, and vertical distribution to facilitate the charge collection at electrodes. However, the similar conjugated backbone of donor/acceptor material and fast film–formation kinetics have led to spinodal–decomposition–orientated phase separation that result in the film presenting an intimately mixed morphology and random molecular orientation. To solve the issue, the mixing Gibbs free energy–triggered solid–liquid phase separation during the film formation process is enhanced by solidifying one component and solvating the other based on a liquid additive. Following the liquid evaporation process, a favorable vertical distribution is obtained. Meanwhile, the prolonged solvation process enlarges the domain size and assists the molecules to diffuse and orient properly, enabling better exciton/charge dynamics during the power conversion processes. As a result, the fabricated devices exhibit a fill factor over 80% and an efficiency of 18.72%, which is one of the top efficiencies for binary OSCs. In conclusion, insights and a methodology is provided here to manipulate the organic donor/acceptor phase separation in terms of mixing Gibbs free energy.

14 SOLAR ENERGY↗
DOE OSTI2025

Dielectric constant engineering of nonfullerene acceptors enables a record fill factor of 83.58% and a high efficiency of 20.80% in organic solar cells

Organic solar cells (OSCs) have achieved power conversion efficiencies (PCEs) surpassing 20%, but their development remains hindered by the inherently low dielectric constant (εr) of organic semiconductors, which limits charge transport and contributes to serious recombination losses. Herein, we present a comprehensive strategy to overcome the challenge by engineering the dielectric properties of nonfullerene acceptors (NFAs). Two Y-series NFAs of BTP-N3F and BTP-C3F have been synthesized featuring trifluoromethyl (CF 3 ) end-capped alkyl side chains. This molecular design significantly enhances the dipole moment and ε r (up to ∼5.9) when compared to the reference acceptor Y6 (∼3), reducing the exciton binding energy (E b ) and improving charge transport. Furthermore, the incorporation of a high-εr polymer additive, poly(pentafluorostyrene) (PPFS), synergistically improves the active layer morphology and dielectric properties, enabling efficient charge extraction and reduced recombination losses. Devices based on the optimized D18-Cl/BTP-C3F system have achieved a record-high fill factor (FF) of 83.58% and an impressive PCE of 20.80%, setting a new benchmark for OSCs. Finally, our results underscore the pivotal role of ε r in enhancing device performance and establish a versatile pathway for advancing OSC efficiency and stability through molecular and morphological optimization.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Donor-fullerene dyads for energy cascade organic solar cells

Organic bulk hetero junction (BHJ) solar cells require broad absorption of the incident solar spectrum by the donor and acceptor in the blend. Fullerene derivatives with covalently linked dyes, referred to as dyads, were designed to have strong optical absorption and appropriate electronic levels for electron transfer with common donor polymers in BHJs. Dyads with dyes based on diketopyrrolopyrrole and benzothiadiazole were synthesized using either a methanofullerene or a fulleropyrrolidine linkage. Here, the performance of these dyad acceptors in BHJ solar cells with poly(3-hexylthiophene) (P3HT) and a low optical gap co-polymer of thiophene and diketopyrrolopyrrole (PDPP2FT) were examined. Although the solar power conversion efficiencies were low, charge generation from the molecular dye in the dyad could be observed in BHJs with PDPP2FT. The low power conversion efficiency was attributed to the morphology of the BHJs based on grazing incidence wide angle X-ray scattering patterns. Density functional theory was used to examine the charge transfer states between the donor and the dyad. The lowest energy charge-transfer state was found to be a transition from the donor polymer to the fullerene portion of the dyad.

14 SOLAR ENERGY↗
DOE OSTI2014

Singlet fission efficiency in tetracene-based organic solar cells

Singlet exciton fission splits one singlet exciton into two triplet excitons. Using a joint analysis of photocurrent and fluorescence modulation under a magnetic field, we determine that the triplet yield within optimized tetracene organic photovoltaic devices is 153% ± 5% for a tetracene film thickness of 20 nm. The corresponding internal quantum efficiency is 127% ± 18%. These results are used to prove the effectiveness of a simplified triplet yield measurement that relies only on the magnetic field modulation of fluorescence. Despite its relatively slow rate of singlet fission, the measured triplet yields confirm that tetracene is presently the best candidate for use with silicon solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Solid Solvation Assisted Electrical Doping Conserves High‐Performance in 500 nm Active Layer Organic Solar Cells

Abstract Organic solar cells (OSCs) process fascinating solution‐printing capability to achieve low‐cost and large‐scale manufacture. However, the rapid power conversion efficiency (PCE) decay with active layer thickness enlargement inhibits the implement of OSCs’ potential advantages. To overcome the bottlenecks of PCE decay in thick active layer OSCs, the electrical doping with componential selectivity in bulk heterojunction (BHJ) film is achieved by introducing a solid solvation additive. Benefiting from the higher exciton splitting efficiency together with the longer drift (L dr ) and diffusion (L diff ) lengths, an OSC with 100 nm BHJ film demonstrates a PCE increment from 16.44% to 18.24% with prolonged dark and illuminated storage stabilities. Applying the solid solvation assisted (SSA) doping method in the OSCs with 500 nm active layer, the PCE significantly increases by 31.9%, from the original value of 11.79% to 15.55%. It further improves to 15.84% in a ternary blend thick‐film device, which is the record value to the best of our knowledge. Besides, the SSA doping narrows the PCE gap between the 0.04 and 1 cm 2 devices. All improvements demonstrate the great potential of SSA doping for OSC commercial manufacture, since it optimizes the photovoltaic performance under all practical conditions of long‐term, thick‐film, and large‐area.

Chemistry↗
DOE OSTI2020

Thermodynamic Properties and Molecular Packing Explain Performance and Processing Procedures of Three D18:NFA Organic Solar Cells

Abstract Organic solar cells (OSCs) based on D18:Y6 have recently exhibited a record power conversion efficiency of over 18%. The initial work is extended and the device performance of D18‐based OSCs is compared with three non‐fullerene acceptors, Y6, IT‐4F, and IEICO‐4Cl, and their molecular packing characteristics and miscibility are studied. The D18 polymer shows unusually strong chain extension and excellent backbone ordering in all films, which likely contributes to the excellent hole‐transporting properties. Thermodynamic characterization indicates a room‐temperature miscibility for D18:Y6 and D18:IT‐4F near the percolation threshold. This corresponds to an ideal quench depth and explains the use of solvent vapor annealing rather than thermal annealing. In contrast, D18:IEICO‐4Cl is a low‐miscibility system with a deep quench depth during casting and poor morphology control and low performance. A failure of ternary blends with PC 71 BM is likely due to the near‐ideal miscibility of Y6 to begin with and indicates that strategies for developing successful ternary or quaternary solar cells are likely very different for D18 than for other high‐performing donors. This work reveals several unique property–performance relations of D18‐based photovoltaic devices and helps guide design or fabrication of yet higher efficiency OSCs.

Wang, Zhen↗
DOE OSTI2015

Understanding the Impact of Hierarchical Nanostructure in Ternary Organic Solar Cells

Ternary organic solar cells (OSCs), which blend two donors and fullerene derivatives with different absorption ranges, are a promising potential strategy for high-power conversion efficiencies (PCEs). In this study, inverted ternary OSCs are fabricated by blending a highly crystalline small molecule BDT-3T-CNCOO in a low band gap polymer PBDTTT-C-T:PC71BM. As the small molecule is introduced, the overall PCEs increase from 7.60% to 8.58%. The morphologies of ternary blends are studied by combining transmission electron microscopy and X-ray scattering techniques at different length scales. Hierarchical phase separation is revealed in the ternary blend, which is composed of domains with sizes of ≈88, ≈50, and ≈20 nm, respectively. The hierarchical phase separation balances the charge separation and transport in ternary OSCs. As a result, the fill factors of the devices significantly improve from 58.4% to 71.6%. Thus, ternary blends show higher hole mobility and higher fill factor than binary blends, which demonstrates a facile strategy to increase the performance of OSCs.

Chemistry↗
DOE OSTI2023

Dimer Acceptor Adopting a Flexible Linker for Efficient and Durable Organic Solar Cells

Abstract Organic solar cells (OSCs) have advanced rapidly due to the development of new photovoltaic materials. However, the long‐term stability of OSCs still poses a severe challenge for their commercial deployment. To address this issue, a dimer acceptor ( d T9TBO) with flexible linker is developed for incorporation into small‐molecule acceptors to form molecular alloy with enhanced intermolecular packing and suppressed molecular diffusion to stabilize active layer morphology. Consequently, the PM6 : Y6 : d T9TBO‐based device displays an improved power conversion efficiency (PCE) of 18.41 % with excellent thermal stability and negligible decay after being aged at 65 °C for 1800 h. Moreover, the PM6 : Y6 : d T9TBO‐based flexible OSC also exhibits excellent mechanical durability, maintaining 95 % of its initial PCE after being bended repetitively for 1500 cycles. This work provides a simple and effective way to fine‐tune the molecular packing with stabilized morphology to overcome the trade‐off between OSC efficiency and stability.

Chemistry↗
DOE OSTI2019

Acceptor Gradient Polymer Donors for Non-Fullerene Organic Solar Cells

In organic solar cells, maximizing the open-circuit voltage ( V OC ) via minimization of the ionization energy or electron affinity offsets of the blended donor and acceptor often comes at the expense of achieving a considerable amount of short-circuit current ( J SC ). To explore a hypothesis for the design of materials that may circumvent this tradeoff, eight structurally similar polymers were synthesized consisting of a fluorinated/non-fluorinated benzothiadiazole (BTDF/BTD) strong acceptor moiety, a thiophene ester (TE) weak acceptor, and various donor units composed of bithiophene (T2), biEDOT, and benzodithiophene (BDT) to form six acceptor gradient and two nongradient polymers. The acceptor gradient motif was designed and theorized to induce more facile exciton dissociation in low driving force solar cells by creating a further separated intramolecular charge-transfer state between the strong BTD acceptor and various donor units through a bridging TE component. Solar cells were fabricated using the eight polymers blended with phenyl-C 71 -butyric-acid methyl ester (PC 71 BM) to reveal two top performing isomeric polymers, T2-BTDF-(TE2) and TE2-BTDF-(T2), which were further tested with several non-fullerene acceptors (NFAs): EH-IDTBR, ITIC, and ITIC- 4 F. In order to fabricate optimally performing solar cells, a 0.2 eV ionization energy offset was found to be essential or the short-circuit current of the NFA cells diminished dramatically. Ultimately, optimized NFA solar cells were fabricated using ITIC-4F paired with each of the top performing polymers to produce an average PCE of 7.3% for TE2-BTDF-(T2) (nongradient) and 3.6% for T2-BTDF-(TE2) (gradient). The acceptor gradient effect was not shown to reduce the amount of charge recombination in NFA solar cells mainly due to the inability to fabricate solar cells, with minimal ionization energy or electron affinity offsets along with morphological complications. This work stresses the importance of acquiring accurate ionization energies and electron affinities when characterizing solar cell energetics, as differences as small as 0.1 eV in the offsets can make a significant impact on overall charge collection.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Lamination of organic solar cells and organic light emitting devices: Models and experiments

In this paper, a combined experimental, computational, and analytical approach is used to provide new insights into the lamination of organic solar cells and light emitting devices at macro- and micro-scales. First, the effects of applied lamination force (on contact between the laminated layers) are studied. The crack driving forces associated with the interfacial cracks (at the bi-material interfaces) are estimated along with the critical interfacial crack driving forces associated with the separation of thin films, after layer transfer. The conditions for successful lamination are predicted using a combination of experiments and computational models. Guidelines are developed for the lamination of low-cost organic electronic structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗