Over 16% efficiency organic photovoltaic cells enabled by a chlorinated acceptor with increased open-circuit voltages
TL;DR: This study demonstrates that finely tuning the OPV materials to reduce the bandgap-voltage offset has great potential for boosting the efficiency and unexpectedly obtain higher open-circuit voltages and achieve a record high PCE of 16.5% by chlorination.
Abstract: Broadening the optical absorption of organic photovoltaic (OPV) materials by enhancing the intramolecular push-pull effect is a general and effective method to improve the power conversion efficiencies of OPV cells. However, in terms of the electron acceptors, the most common molecular design strategy of halogenation usually results in down-shifted molecular energy levels, thereby leading to decreased open-circuit voltages in the devices. Herein, we report a chlorinated non-fullerene acceptor, which exhibits an extended optical absorption and meanwhile displays a higher voltage than its fluorinated counterpart in the devices. This unexpected phenomenon can be ascribed to the reduced non-radiative energy loss (0.206 eV). Due to the simultaneously improved short-circuit current density and open-circuit voltage, a high efficiency of 16.5% is achieved. This study demonstrates that finely tuning the OPV materials to reduce the bandgap-voltage offset has great potential for boosting the efficiency. Halogenation has proved an effective strategy to improve the power conversion efficiencies of organic solar cells but it usually leads to lower open-circuit voltages. Here, Cui et al. unexpectedly obtain higher open-circuit voltages and achieve a record high PCE of 16.5% by chlorination.
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TL;DR: The results demonstrate that minimizing the alkyl chains to get suitable solubility and enhanced intermolecular packing has a great potential in further improving its photovoltaic performance.
Abstract: Optimizing the molecular structures of organic photovoltaic (OPV) materials is one of the most effective methods to boost power conversion efficiencies (PCEs). For an excellent molecular system with a certain conjugated skeleton, fine tuning the alky chains is of considerable significance to fully explore its photovoltaic potential. In this work, the optimization of alkyl chains is performed on a chlorinated nonfullerene acceptor (NFA) named BTP-4Cl-BO (a Y6 derivative) and very impressive photovoltaic parameters in OPV cells are obtained. To get more ordered intermolecular packing, the n-undecyl is shortened at the edge of BTP-eC11 to n-nonyl and n-heptyl. As a result, the NFAs of BTP-eC9 and BTP-eC7 are synthesized. The BTP-eC7 shows relatively poor solubility and thus limits its application in device fabrication. Fortunately, the BTP-eC9 possesses good solubility and, at the same time, enhanced electron transport property than BTP-eC11. Significantly, due to the simultaneously enhanced short-circuit current density and fill factor, the BTP-eC9-based single-junction OPV cells record a maximum PCE of 17.8% and get a certified value of 17.3%. These results demonstrate that minimizing the alkyl chains to get suitable solubility and enhanced intermolecular packing has a great potential in further improving its photovoltaic performance.
1,218 citations
TL;DR: Li et al. as discussed by the authors showed that branched alkyl chains in non-fullerene acceptors allow favorable morphology in the active layer, enabling a certified device efficiency of 17.32% with a fill factor of 81.5% for single-junction organic solar cells.
Abstract: Molecular design of non-fullerene acceptors is of vital importance for high-efficiency organic solar cells. The branched alkyl chain modification is often regarded as a counter-intuitive approach, as it may introduce an undesirable steric hindrance that reduces charge transport in non-fullerene acceptors. Here we show the design and synthesis of a highly efficient non-fullerene acceptor family by substituting the beta position of the thiophene unit on a Y6-based dithienothiophen[3,2-b]-pyrrolobenzothiadiazole core with branched alkyl chains. It was found that such a modification to a different alkyl chain length could completely change the molecular packing behaviour of non-fullerene acceptors, leading to improved structural order and charge transport in thin films. An unprecedented efficiency of 18.32% (certified value of 17.9%) with a fill factor of 81.5% is achieved for single-junction organic solar cells. This work reveals the importance of the branched alkyl chain topology in tuning the molecular packing and blend morphology, which leads to improved organic photovoltaic performance. Molecular design of acceptor and donor molecules has enabled major progress in organic photovoltaics. Li et al. show that branched alkyl chains in non-fullerene acceptors allow favourable morphology in the active layer, enabling a certified device efficiency of 17.9%.
966 citations
TL;DR: In this paper, a small molecule acceptor (SMA) with 3rd position branched alkyl chains was designed and synthesized to investigate the influence of alkyls on the properties and performance of the SMAs.
676 citations
TL;DR: In this paper, the use of a small-molecule acceptor with torsion-free molecular conformation can achieve a very low degree of energetic disorder and mitigate energy loss in OSCs.
Abstract: Energy loss within organic solar cells (OSCs) is undesirable as it reduces cell efficiency1–4. In particular, non-radiative recombination loss3 and energetic disorder5, which are closely related to the tail states below the band edge and the overall photon energy loss, need to be minimized to improve cell performance. Here, we report how the use of a small-molecule acceptor with torsion-free molecular conformation can achieve a very low degree of energetic disorder and mitigate energy loss in OSCs. The resulting single-junction OSC has an energy loss due to non-radiative recombination of just 0.17 eV and a high power conversion efficiency of up to 16.54% (certified as 15.89% by the National Renewable Energy Laboratory). The findings take studies of organic photovoltaics deeper into a new regime, beyond the limits of energetic disorder and large energy offset for charge generation. An organic solar cell designed with minimal energetic disorder exhibits very low energy loss due to non-radiative recombination and highly efficient operation.
595 citations
TL;DR: In this article, an alloy-like composite is formed between Y6 and a newly designed derivative, BTP-M. Employing an electron-pushing methyl substituent as a replacement for the electron-withdrawing F atoms on Y6, the obtained Y6:BTP-m alloy can simultaneously optimize energy levels to reduce energy loss as well as the morphologies of the active layers to favor photocurrent generation, leading to an enhanced open-circuit voltage (Voc) of 0.875 V together with a larger shortcircuit current density (Jsc
Abstract: Nowadays, organic solar cells (OSCs) with Y6 and its derivatives as electron acceptors provide the highest efficiencies among the studied binary OSCs. To further improve the performances of OSCs, the fabrication of ternary OSCs (TOSCs) is a convenient strategy. Essentially, morphology control and the trade-off between voltage and photocurrent are the main critical issues in TOSCs. Herein, we address these problems by constructing TOSCs where an alloy-like composite is formed between Y6 and a newly designed derivative, BTP-M. Employing an electron-pushing methyl substituent as a replacement for the electron-withdrawing F atoms on Y6, BTP-M shows higher energy levels and lower crystallinity than Y6. As a result, the obtained Y6:BTP-M alloy can simultaneously optimize energy levels to reduce energy loss as well as the morphologies of the active layers to favor photocurrent generation, leading to an enhanced open-circuit voltage (Voc) of 0.875 V together with a larger short-circuit current density (Jsc) of 26.56 mA cm−2 for TOSCs based on the polymer donor PM6 and Y6:BTP-M acceptor alloy. Consequently, a best efficiency of 17.03% is achieved for the corresponding TOSCs, which is among the best values for single-junction OSCs. In addition, our TOSCs also exhibit good thickness tolerance, and can reach 14.23% efficiency even though the active layer is as thick as 300 nm.
569 citations
References
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TL;DR: Five practical examples involving a wide variety of systems and analysis methods are given to illustrate the usefulness of Multiwfn, a multifunctional program for wavefunction analysis.
Abstract: Multiwfn is a multifunctional program for wavefunction analysis. Its main functions are: (1) Calculating and visualizing real space function, such as electrostatic potential and electron localization function at point, in a line, in a plane or in a spatial scope. (2) Population analysis. (3) Bond order analysis. (4) Orbital composition analysis. (5) Plot density-of-states and spectrum. (6) Topology analysis for electron density. Some other useful utilities involved in quantum chemistry studies are also provided. The built-in graph module enables the results of wavefunction analysis to be plotted directly or exported to high-quality graphic file. The program interface is very user-friendly and suitable for both research and teaching purpose. The code of Multiwfn is substantially optimized and parallelized. Its efficiency is demonstrated to be significantly higher than related programs with the same functions. Five practical examples involving a wide variety of systems and analysis methods are given to illustrate the usefulness of Multiwfn. The program is free of charge and open-source. Its precompiled file and source codes are available from http://multiwfn.codeplex.com.
17,273 citations
TL;DR: In this article, an upper theoretical limit for the efficiency of p−n junction solar energy converters, called the detailed balance limit of efficiency, has been calculated for an ideal case in which the only recombination mechanism of holeelectron pairs is radiative as required by the principle of detailed balance.
Abstract: In order to find an upper theoretical limit for the efficiency of p‐n junction solar energy converters, a limiting efficiency, called the detailed balance limit of efficiency, has been calculated for an ideal case in which the only recombination mechanism of hole‐electron pairs is radiative as required by the principle of detailed balance. The efficiency is also calculated for the case in which radiative recombination is only a fixed fraction fc of the total recombination, the rest being nonradiative. Efficiencies at the matched loads have been calculated with band gap and fc as parameters, the sun and cell being assumed to be blackbodies with temperatures of 6000°K and 300°K, respectively. The maximum efficiency is found to be 30% for an energy gap of 1.1 ev and fc = 1. Actual junctions do not obey the predicted current‐voltage relationship, and reasons for the difference and its relevance to efficiency are discussed.
11,071 citations
TL;DR: Perovskite films received a boost in photovoltaic efficiency through controlled formation of charge-generating films and improved current transfer to the electrodes and low-temperature processing steps allowed the use of materials that draw current out of the perovskites layer more efficiently.
Abstract: Advancing perovskite solar cell technologies toward their theoretical power conversion efficiency (PCE) requires delicate control over the carrier dynamics throughout the entire device. By controlling the formation of the perovskite layer and careful choices of other materials, we suppressed carrier recombination in the absorber, facilitated carrier injection into the carrier transport layers, and maintained good carrier extraction at the electrodes. When measured via reverse bias scan, cell PCE is typically boosted to 16.6% on average, with the highest efficiency of ~19.3% in a planar geometry without antireflective coating. The fabrication of our perovskite solar cells was conducted in air and from solution at low temperatures, which should simplify manufacturing of large-area perovskite devices that are inexpensive and perform at high levels.
5,789 citations
TL;DR: It is found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm−2) illumination and exceed 3 millimeters under weak light for both electrons and holes.
Abstract: Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm(-2)) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals than in polycrystalline thin films. The long carrier diffusion lengths enabled the use of CH3NH3PbI3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.
4,393 citations
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TL;DR: In this article, a review summarizes recent progress in the development of polymer solar cells and provides a synopsis of major achievements in the field over the past few years, while potential future developments and the applications of this technology are also briefly discussed.
Abstract: This Review summarizes recent progress in the development of polymer solar cells. It covers the scientific origins and basic properties of polymer solar cell technology, material requirements and device operation mechanisms, while also providing a synopsis of major achievements in the field over the past few years. Potential future developments and the applications of this technology are also briefly discussed.
3,832 citations