Search Results (68)

Global warming and environmental pollution due to the overuse and exploitation of fossil fuels are the main issues affecting humans’ well-being. Solar energy is considered to be one of the most promising candidates for providing human society with a clean and sustainable energy supply. Thin-film organic solar cells (TFOSCs) use organic semiconductors as light-absorbing layer materials. TFOSCs have attracted wide research interest due to several advantages, such as easy fabrication, affordability, light weight, and environmental friendliness. Over the years, TFOSCs have been dominated by donor–acceptor blends based on polymer donors and fullerene acceptors. However, a new class of non-fullerene acceptors (NFAs) has gained prominence in TFOSCs owing to their significant improvement in the power conversion efficiency (PCE) of non-fullerene-based devices. In this study, the One-Dimensional Solar Cell Capacitance Simulator (SCAPS-1D) numerical simulator was used to study the performance of a device with a configuration of FTO/PDINO/PBDB-T/ITIC/CFTS/Al. Here, the PBDB-T/ITIC polymer blend represents poly[(2,6-(4,8-bis(5-(2 ethylhexyl)thiophen-2-yl)benzo [1,2-b:4,5-b]dithiophene)-co-(1,3-di(5-thiophene-2-yl)-5,7-bis(2-ethylhexyl)benzo [1,2-c:4,5-c]dithiophene-4,8-dione)] (PBDB)/3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone)-5,5,11,11-tetraki(4-hexylphenyl)-dithieno[2,3-d:2,3-d]-s-indaceno [1,2-b:5,6-b]dithiophene) (ITIC) and the non-fullerene acceptor (NFA) and serves as the absorber layer. The electron transport layer (ETL) was 2,9-Bis[3-(dimethyloxidoamino)propyl]anthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2H,9H)-tetrone (PDINO), and Cu₂FeSnS₄ (CFTS) was used as a hole transport layer (HTL). This research article aims to address the global challenges of environmental pollution and global warming caused by the overuse of fossil fuels by exploring alternative energy solutions. Upon optimization, the device achieved a power conversion efficiency (PCE) of 16.86%, a fill factor (FF) of 79.12%, a short-circuit current density (J_SC) of 33.19 mA cm⁻², and an open-circuit voltage (V_OC) of 0.64 V. The results obtained can guide the fabrication of NFA-based TFOSCs in the near future. Full article

Organic solar cells (OSCs) are considered a very promising technology to convert solar energy to electricity and a feasible option for the energy market because of the advantages of light weight, flexibility, and roll-to-roll manufacturing. They are mainly characterized by a bulk heterojunction structure where a polymer donor is blended with an electron acceptor. Their performance is highly affected by the design of donor–acceptor conjugated polymers and the choice of suitable acceptor. In particular, benzotriazole, a typical electron-deficient penta-heterocycle, has been combined with various donors to provide wide bandgap donor polymers, which have received a great deal of attention with the development of non-fullerene acceptors (NFAs) because of their suitable matching to provide devices with relevant power conversion efficiency (PCE). Moreover, different benzotriazole-based polymers are gaining more and more interest because they are considered promising acceptors in OSCs. Since the development of a suitable method to choose generally a donor/acceptor material is a challenging issue, this review is meant to be useful especially for organic chemical scientists to understand all the progress achieved with benzotriazole-based polymers used as donors with NFAs and as acceptors with different donors in OSCs, in particular referring to the PCE. Full article

Ternary polymer solar cells (PSCs) are currently the simplest and most efficient way to further improve the device performance in PSCs. To find high-performance organic photovoltaic materials, the established connection between the material structure and device performance before fabrication is of great significance. Herein, firstly, a database of the photovoltaic performance in 874 experimental PSCs reported in the literature is established, and three different fingerprint expressions of a molecular structure are explored as input features; the results show that long fingerprints of 2D atom pairs can contain more effective information and improve the accuracy of the models. Through supervised learning, five machine learning (ML) models were trained to build a mapping of the photovoltaic performance improvement relationship from binary to ternary PSCs. The GBDT model had the best predictive ability and generalization. Eighteen key structural features from a non-fullerene acceptor and the third components that affect the device’s PCE were screened based on this model, including a nitrile group with lone-pair electron, a halogen atom, an oxygen atom, etc. Interestingly, the structural features for the enhanced device’s PCE were essentially increased by the J_sc or FF. More importantly, the reliability of the ML model was further verified by preparing the highly efficient PSCs. Taking the PM6:BTP-eC9:PY-IT ternary PSC as an example, the PCE prediction (18.03%) by the model was in good agreement with the experimental results (17.78%), the relative prediction error was 1.41%, and the relative error between all experimental results and predicted results was less than 5%. These results indicate that ML is a useful tool for exploring the photovoltaic performance improvement of PSCs and accelerating the design and application with highly efficient non-fullerene materials. Full article

Ternary organic solar cells contain a single three-component photoactive layer with a wide absorption window, achieved without the need for multiple stacking. However, adding a third component into a well-known binary blend can influence the energetics, optical window, charge carrier transport, crystalline order and conversion efficiency. In the form of binary blends, the low-bandgap regioregular polymer donor poly(3-hexylthiophene-2,5-diyl), known as P3HT, is combined with the acceptor PC₆₁BM, an inexpensive fullerene derivative. Two different non-fullerene acceptors (ITIC and eh-IDTBR) are added to this binary blend to form ternary blends. A systematic comparison between binary and ternary systems was carried out as a function of the thermal annealing temperature of organic layers (100 °C and 140 °C). The power conversion efficiency (PCE) is improved due to increased fill factor (FF) and open-circuit voltage (V_oc) for thermal-annealed ternary blends at 140 °C. The transport properties of electrons and holes were investigated in binary and ternary blends following a Space-Charge-Limited Current (SCLC) protocol. A favorable balanced hole–electron mobility is obtained through the incorporation of either ITIC or eh-IDTBR. The charge transport behavior is correlated with the bulk heterojunction (BHJ) morphology deduced from atomic force microscopy (AFM), contact water angle (CWA) measurement and 2D grazing-incidence X-ray diffractometry (2D-GIXRD). Full article

The bulk-heterojunction (BHJ) system that uses a $\pi$-conjugated polymer as an electron donor, and a fullerene derivative as an electron acceptor, is widely used in organic solar cells (OSCs) to facilitate efficient charge separation and extraction. However, the conventional BHJ system still suffers from unwanted phase segregation caused by the existence of significant differences in surface energy between the two BHJ components and the charge extraction layer during film formation. In the present work, we demonstrate a sophisticated control of fast film-growth kinetics that can be used to achieve a uniform distribution of donor and acceptor materials in the BHJ layer of OSCs without undesirable phase separation. Our approach involves depositing the BHJ solution onto a spinning substrate, thus inducing rapid evaporation of the solvent during BHJ film formation. The fast-growth process prevents the fullerene derivative from migrating toward the charge extraction layer, thereby enabling a homogeneous distribution of the fullerene derivative within the BHJ film. The OSCs based on the fast-growth BHJ thin film are found to exhibit substantial increases in J_SC, fill factor, and a PCE up to 11.27 mA/cm², 66%, and 4.68%, respectively; this last value represents a remarkable 17% increase in PCE compared to that of conventional OSCs. Full article

Fluorinated multi-walled carbon nanotubes are implemented as the third component of the active layer of organic solar cells. The addition of approximately 1% weight fraction of these nanotubes into PCDTBT/PC₆₀BM polymer/fullerene active layer leads to a noticeable increase in the main photovoltaic parameters of the solar cells, including their stability. Presumably, the origins of this influence are optimizing the donor/acceptor composite morphology and reinforcing its structure with fluorinated multi-walled carbon nanotubes. This hypothesis is supported by the dramatic influence of the fluorinated multi-walled carbon nanotube additive on the kinetics of the decay of the EPR signal of light-induced charges in the PCDTBT/PC₆₀BM composite. Full article

Two gallium porphyrins, a tetraphenyl GaCl porphyrin, termed as (TPP)GaCl, and an octaethylporphyrin GaCl porphyrin, termed as (OEP)GaCl, were synthesized to use as an electron cascade in ternary organic bulk heterojunction films. A perfect matching of both gallium porphyrins’ energy levels with that of poly(3-hexylthiophene-2,5-diyl) (P3HT) or poly[N-9′-heptadecanyl-2,7-carbazole-alt-5,5-(4′,7′-di-2-thienyl-2′,1′,3′-benzothiadiazole)] (PCDTBT) polymer donor and the 6,6-phenyl C₇₁ butyric acid methyl ester (PCBM) fullerene acceptor, forming an efficient cascade system that could facilitate electron transfer between donor and acceptor, was demonstrated. Therefore, ternary organic solar cells (OSCs) using the two porphyrins in various concentrations were fabricated where a performance enhancement was obtained. In particular, (TPP)GaCl-based ternary OSCs of low concentration (1:0.05 vv%) exhibited a ~17% increase in the power conversion efficiency (PCE) compared with the binary device due to improved exciton dissociation, electron transport and reduced recombination. On the other hand, ternary OSCs with a high concentration of (TPP)GaCl (1:0.1 vv%) and (OEP)GaCl (1:0.05 and 1:0.1 vv%) showed the poorest efficiencies due to very rough nanomorphology and suppressed crystallinity of ternary films when the GaCl porphyrin was introduced to the blend, as revealed from X-ray diffraction (XRD) and atomic force microscopy (AFM). The best performing devices also exhibited improved photostability when exposed to sunlight illumination for a period of 8 h than the binary OSCs, attributed to the suppressed photodegradation of the ternary (TPP)GaCl 1:0.05-based photoactive film. Full article

In conventional fullerene-based organic photovoltaics (OPVs), in which the excited electrons from the donor are transferred to the acceptor, the electron charge transfer state (^eE_CT) that electrons pass through has a great influence on the device’s performance. In a bulk-heterojunction (BHJ) system based on a low bandgap non-fullerene acceptor (NFA), however, a hole charge transfer state (^hE_CT) from the acceptor to the donor has a greater influence on the device’s performance. The accurate determination of ^hE_CT is essential for achieving further enhancement in the performance of non-fullerene organic solar cells. However, the discovery of a method to determine the exact ^hE_CT remains an open challenge. Here, we suggest a simple method to determine the exact ^hE_CT level via deconvolution of the EL spectrum of the BHJ blend (EL_B). To generalize, we have applied our EL_B deconvolution method to nine different BHJ systems consisting of the combination of three donor polymers (PM6, PBDTTPD-HT, PTB7-Th) and three NFAs (Y6, IDIC, IEICO-4F). Under the conditions that (i) absorption of the donor and acceptor are separated sufficiently, and (ii) the onset part of the external quantum efficiency (EQE) is formed solely by the contribution of the acceptor only, EL_B can be deconvoluted into the contribution of the singlet recombination of the acceptor and the radiative recombination via ^hE_CT. Through the deconvolution of EL_B, we have clearly decided which part of the broad EL_B spectrum should be used to apply the Marcus theory. Accurate determination of ^hE_CT is expected to be of great help in fine-tuning the energy level of donor polymers and NFAs by understanding the charge transfer mechanism clearly. Full article

Improving thermal stability is of great importance for the industrialization of polymer solar cells (PSC). In this paper, we systematically investigated the high-temperature thermal annealing effect on the device performance of the state-of-the-art polymer:non-fullerene (PM6:Y6) solar cells with an inverted structure. Results revealed that the overall performance decay (19% decrease) was mainly due to the fast open-circuit voltage (V_OC, 10% decrease) and fill factor (FF, 10% decrease) decays whereas short circuit current (J_SC) was relatively stable upon annealing at 150 °C (0.5% decrease). Pre-annealing on the ZnO/PM6:Y6 at 150 °C before the completion of cell fabrication resulted in a 1.7% performance decrease, while annealing on the ZnO/PM6:Y6/MoO₃ films led to a 10.5% performance decay, indicating that the degradation at the PM6:Y6/MoO₃ interface is the main reason for the overall performance decay. The increased ideality factor and reduced built-in potential confirmed by dark J − V curve analysis further confirmed the increased interfacial charge recombination after thermal annealing. The interaction of PM6:Y6 and MoO₃ was proved by UV-Vis absorption and XPS measurements. Such deep chemical doping of PM6:Y6 led to unfavorable band alignment at the interface, which led to increased surface charge recombination and reduced built-in potential of the cells after thermal annealing. Inserting a thin C₆₀ layer between the PM6:Y6 and MoO₃ significantly improved the cells’ thermal stability, and less than 2% decay was measured for the optimized cell with 3 nm C₆₀. Full article

The ellipsometric analyses reported in this paper present a novelty by bringing an in-depth optical investigation of some ternary organic blends. This study focuses on the tunability and control of the relative permittivity of active layers by varying the weight ratio of blended materials spin-coated as thin films. To investigate this, an extensive approach based on spectroscopic ellipsometry was conducted on ternary blend (D:A₁:A₂) thin films, involving a donor [D = chlorinated conjugated polymer (PBDB-T-2Cl)] and two acceptor materials [A₁ = a non-fullerene (ITIC-F) and A₂ = a fullerene (PCBM)]. The refractive index constitutes a key parameter that exposes insights into the feasibility of photovoltaic cells by predicting the trajectory of light as it transits the device. In this term, higher obtained refractive indexes support higher absorption coefficients. Notably, the dielectric constant can be rigorously tuned and finely calibrated by modest variations in the quantity of the third element, resulting in considerable modifications. Moreover, the inclusion of fullerene in blends, as the third element, results in a smooth topographical profile, further refining the surface of the film. From an electrical point of view, the ternary blends outperform the polymer thin films. The synergistic interaction of constituents emphasizes their potential to enhance solar conversion devices. Full article

In this study, an organic bulk heterojunction (BHJ) solar cell with a spiro OMeTAD as a hole transport layer (HTL) and a PDINO as an electron transport layer (ETL) was simulated through the one-dimensional solar capacitance simulator (SCAPS-1D) software to examine the performance of this type of organic polymer thin-film solar cell. As an active layer, a blend of polymer donor PBDB-T and non-fullerene acceptor ITIC-OE was used. Numerical simulation was performed by varying the thickness of the HTL and the active layer. Firstly, the HTL layer thickness was optimized to 50 nm; after that, the active-layer thickness was varied up to 80 nm. The results of these simulations demonstrated that the HTL thickness has rather little impact on efficiency while the active-layer thickness improves efficiency significantly. The temperature effect on the performance of the solar cells was considered by simulations performed for temperatures from 300 to 400 K; the efficiency of the solar cell decreased with increasing temperature. Generally, polymer films are usually full of traps and defects; the density of the defect (N_t) value was also introduced to the simulation, and it was confirmed that with the increase in defect density (N_t), the efficiency of the solar cell decreases. After thickness, temperature and defect density optimization, a reflective coating was also applied to the cell. It turned out that by introducing the reflective coating to the back side of the solar cell, the efficiency increased by 2.5%. Additionally, the positive effects of HTL and ETL doping on the efficiency of this type of solar cells were demonstrated. Full article

In this study, we present a comprehensive investigation into the charge generation mechanism in bulk-heterojunction organic solar cells employing non-fullerene acceptors (NFAs) both with and without the presence of processing additives. While photovoltaic devices based on Y6 or BTP-eC9 have shown remarkable power conversion efficiencies, the underlying charge generation mechanism in polymer:NFA blends remains poorly understood. To shed light on this, we employ transient absorption (TA) spectroscopy to elucidate the charge transfer pathway within a blend of the donor polymer PM6 and NFAs. Interestingly, the charge carrier lifetimes of neat Y6 and BTP-eC9 are comparable, both reaching up to 20 ns. However, the PM6:BTP-eC9 blend exhibits substantially higher charge carrier generation and a longer carrier lifetime compared to PM6:Y6 blend films, leading to superior performance. By comparing TA data obtained from PM6:Y6 or PM6:BTP-eC9 blend films with and without processing additives, we observe significantly enhanced charge carrier generation and prolonged charge carrier lifetimes in the presence of these additives. These findings underscore the potential of manipulating excited species as a promising avenue for further enhancing the performance of organic solar cells. Moreover, this understanding contributes to the advancement of NFA-based systems and the optimization of charge transfer processes in polymer:NFA blends. Full article

Bulk heterojunction polymer solar cells (PSCs) blended with non-fullerene-type acceptors (NFAs) possess good solar power conversion efficiency and compatibility with flexible electronics, rendering them good candidates for mobile photovoltaic applications. However, their internal absorption performance and mechanism are yet to be fully elucidated because of their complicated interference effect caused by their multilayer device structure. The transfer matrix method (TMM) is ideal for analyzing complex optical electric fields by considering multilayer interference effects. In this study, an active layer (AL) thickness-dependent TMM is used to obtain accurate information on the photon-capturing mechanisms of NFA-based PSCs for comparison with experimental results. Devices with AL thicknesses of 40–350 nm were prepared, and the AL-thickness-dependent device parameters with incident photon-to-current efficiency spectra were compared with the calculated internal absorption spectra of the TMM. The spectrally and spatially resolved spectra as a function of the AL thickness and excitation wavelength revealed that the power conversion efficiency of the NFA-blended PSC decreased with the increasing AL thickness after reaching a maximum of ~100 nm; by contrast, the internal absorption efficiency showed the opposite trend. Furthermore, the TMM spectra indicated that the spatial distribution of the photogenerated charge carriers became significantly imbalanced as the AL thickness increased, implying that the AL-dependent loss stemmed from the discrepancy between the absorption and the extracted charge carriers. Full article

The power conversion efficiency (PCE) of ternary polymer solar cells (PSCs) with non-fullerene has a phenomenal increase in recent years. However, improving the open circuit voltage (V_oc) of ternary PSCs with non-fullerene still remains a challenge. Therefore, in this work, machine learning (ML) algorithms are employed, including eXtreme gradient boosting, K-nearest neighbor and random forest, to quantitatively analyze the impact mechanism of V_oc in ternary PSCs with the double acceptors from the two aspects of photovoltaic materials. In one aspect of photovoltaic materials, the doping concentration has the greatest impact on V_oc in ternary PSCs. Furthermore, the addition of the third component affects the energy offset between the donor and acceptor for increasing V_oc in ternary PSCs. More importantly, to obtain the maximum V_oc in ternary PSCs with the double acceptors, the HOMO and LUMO energy levels of the third component should be around (−5.7 ± 0.1) eV and (−3.6 ± 0.1) eV, respectively. In the other aspect of molecular descriptors and molecular fingerprints in the third component of ternary PSCs with the double acceptors, the hydrogen bond strength and aromatic ring structure of the third component have high impact on the V_oc of ternary PSCs. In partial dependence plot, it is clear that when the number of methyl groups is four and the number of carbonyl groups is two in the third component of acceptor, the V_oc of ternary PSCs with the double acceptors can be maximized. All of these findings provide valuable insights into the development of materials with high V_oc in ternary PSCs for saving time and cost. Full article

In this work, macro- and nanodiagnostic procedures for working, third-generation photovoltaic devices based on a modified polymer:fullerene (P3HT:PCBM) absorber were conducted using atomic force microscopy (AFM) and impedance spectroscopy (IS) equipment. All experiments were performed both in the dark and under irradiation with a specific light wavelength. Photoactive Kelvin probe force microscopy (p-KPFM) and impedance spectroscopy (p-IS) experiments were conducted on half- and whole-solar cell devices. Based on the p-KPFM measurements, the surface potential (SP) and surface photovoltage (SPV) on top of the active layer at the micro/nanoscale were estimated for various light wavelengths (red, green, blue, and white). For light in the red spectrum range, which was associated with an optical absorption edge and acceptor states that occurred in the band gap of the P3HT material after doping the donor polymer with iodine, the SPV was measured at levels of 183 mV, 199 mV, and 187 mV for the samples with 0%, 5% and 10% iodine doping, respectively. In addition, a macroscale investigation enabling the determination of the electrical parameters of the studied organic solar cells (OSCs) was carried out using p-IS. Based on the data obtained during p-IS experiments, it was possible to propose a series electrical equivalent circuit to define and describe the charge transfer phenomenon in the OSCs. Estimations of data obtained from the fitting of the experimental results of p-IS under white light allowed us to evaluate the average diffusion time of electric charges at 8.15 µs, 16.66 µs, and 24.15 µs as a function of organic layer thickness for the device without doping and with 5% and 10% iodine doping. In this study, we demonstrated that correlating information obtained at the macro- and nanoscale enabled a better understanding of the electrical charge distribution of OSCs for indoor applications. Full article