Search Results (132)

Suppressing thermally driven morphological evolution while preserving efficient charge transport pathways remains a critical challenge for improving the long-term stability of organic photovoltaics (OPVs). Herein, a soft polymeric matrix strategy based on gel-related soft material concepts is demonstrated for stabilizing bulk heterojunction (BHJ) morphology and simultaneously improving the efficiency and thermal durability of OPVs. The incorporation of an optimal 5 wt% polystyrene-block-poly(ethylene-ran-butylene)-block-polystyrene (SEBS) as a soft polymeric matrix component into a PM6:Y6 blend modulates the nanoscale morphology and local packing characteristics of the acceptor phase. These changes improve charge-transport balance and charge collection, increasing the power conversion efficiency (PCE) from 14.27% to 15.22%, corresponding to a 6.7% relative enhancement over the control device. More importantly, after 10 days of thermal aging at 85 °C, the SEBS device retains 87.1% of its initial PCE, compared with 72.5% for the control device. Complementary morphological and spectroscopic analyses reveal suppressed thermally induced structural evolution and aggregation in the SEBS-containing films. These findings demonstrate that a gel-related soft polymeric matrix can regulate BHJ organization and mitigate thermally driven morphological evolution, providing a simple strategy for addressing the efficiency–stability trade-off and realizing thermally robust OPVs. Full article

Bulk heterojunction (BHJ) active layers in organic photovoltaics (OPVs) are nanostructured composites in which electron-donating and electron-accepting semiconductors form interpenetrating phases for exciton dissociation and charge transport. The power conversion efficiency (PCE) of these organic-organic nanocomposites is governed by structural features spanning multiple length scales: molecular packing and energy-level alignment at donor/acceptor (D/A) interfaces, phase-separation morphology and crystallite connectivity, and thin-film optical and charge-transport characteristics. Rational design of high-performance OPV nanocomposites requires multiscale numerical modelling that bridges quantum chemistry, mesoscale morphology simulation, and device-scale optoelectronic modelling. This review surveys and critically compares recent advances in the structural design and numerical simulation of OPV BHJ nanocomposites. At the molecular scale, we examine density functional theory and non-adiabatic molecular dynamics approaches for resolving charge-separation driving forces, interfacial energy-level alignment, and exciton dynamics. At the mesoscale, we discuss molecular dynamics, kinetic Monte Carlo, and electronic coarse-graining methods for describing phase separation, crystallization kinetics, morphology evolution, and charge transport. At the device scale, we review exciton-diffusion, optical transfer-matrix, and drift-diffusion models that quantitatively link morphology to photovoltaic performance metrics. The review also evaluates how machine learning, high-throughput screening, surrogate models, and generative design accelerate donor–acceptor selection and morphology optimization, while distinguishing benchmark predictions from experimentally validated design rules. Across these scales, we compare the strengths, assumptions, and validation limits of the principal modelling approaches. Finally, we highlight emerging multiscale integration frameworks, including sequential parameter-passing pipelines and differentiable digital-twin concepts. By framing OPV BHJ layers as nanocomposites whose performance bottlenecks map onto composite-design challenges such as interface integrity, phase connectivity, multiscale charge transfer, and degradation-aware design, this review connects OPV modelling with broader structural-composites thinking for next-generation organic solar cells. Full article

Organic semiconductors offer a potential class of materials for organic photovoltaic (OPV) applications due to their tunable optoelectronic properties and low-cost processing. A methodical DFT/TD-DFT study of a library of organic donor–π–acceptor (D–π–A) compounds based on triphenylamine donors, thiophene-based π-bridges, and benzothiadiazole/malononitrile acceptors is presented in this work, with the goal of rationalizing the structure–property relationships governing their photovoltaic behavior. CAM-B3LYP calculations were used to analyze the role of donor, bridge, and acceptor units in modulating frontier-orbital alignment, charge-transfer character, and optical absorption properties, as well as to evaluate the active-layer thickness in the estimation of the light-harvesting efficiency. The results, which are intended as internal comparative descriptors rather than predictive device efficiencies, reveal that the most pronounced bathochromic shifts and most favorable optical responses are not simply associated with the strongest donor or acceptor moieties, but rather arise from an optimal balance between frontier-orbital delocalization and charge-transfer character across the molecular framework. A preliminary assessment of photovoltaic descriptors suggests that the proposed computational workflow may provide useful guidelines for the descriptor-guided design and screening of next-generation organic photovoltaic materials. Full article

The goal of agrivoltaic engineers is to use growing space for the synergistic production of both food and energy, typically via photovoltaic (PV) capture. Most research in this area has been carried out in arid, high-light environments, but subtropical and temperate regions are also critical production zones, and installation designs vary considerably. In this study, tomato and lettuce production using an agrivoltaic high tunnel (HT) design specific for a subtropical environment (NE Georgia, USA, USDA Zone 8A) was tested using organic production standards. The design utilized typical HTs (approx. 11 m × 5 m) with solar panel arrays hung internally. The design aimed to (1) meet off-grid power needs, (2) mitigate excessive temperature and humidity, (3) balance shade and plant productivity, and (4) simplify installation and maintenance. Treatments were replicated at the HT level, and cultivar differences were assessed to identify genotypes that might serve in future work to optimize yield under partial shade. In 2023 and 2024, we employed novel organic photovoltaic (OPV) panels, which are partially opaque. The OPV panels provided sufficient energy needs to maintain beneficial conditions without external power sources. In 2024, tomato plants in the OPV HTs experienced an area-weighted daily light integral (DLI, mol photons m⁻² d⁻¹) of approximately 31.8 (95% CI [28.9, 34.7]), compared to 34.7 (95% CI [31.8, 37.6]) in non-OPV HTs, an approximate reduction of 8%. Average maximum temperatures in the OPV HTs were 33.5 °C (95% CI [30.6, 36.4], compared to 35.1 °C (95% CI [30.9, 39.2]) in the non-OPV HTs, an approximate reduction of 1.6 °C. In 2023, tomato marketable yield was reduced by approximately 0.9 kg per plant in OPV HTs compared to non-OPV HTs (p = 0.023). In 2024, yields were statistically equivalent across all treatments (p > 0.1), while marketable fraction was improved relative to 2023 and was greatest in the HTs. Lettuce yield for both years was unaffected by the presence of HTs or OPV panels (p > 0.1). In 2025, we conducted an additional experiment using a shade-equivalent array of conventional 100% opaque photovoltaic (PV) panels and observed a similar reduction in DLI and no significant impact on tomato yield parameters (p > 0.1 Both designs were effective at equilibrating conditions inside the HTs to ambient temperature levels outside the tunnels. Using results from the study, an app for agrivoltaic value estimation was developed. Based on that software, the presented agrivoltaic design under currently available silicon–PV technology achieves an 18% annual return, assuming system depreciation is minimal and surplus energy could be applied to other on-farm needs. Full article

This review evaluates the role of advanced materials in optimizing the efficiency, sustainability, and market integration of solar photovoltaic (PV) technologies. Our work bridges insights from both mature (crystalline silicon (c-Si)) and novel perovskites (PSs), organic photovoltaics (OPVs), and quantum dot solar cell (QDSC) materials, thereby providing a unified view of the present and the future of PV research. We highlight the key breakthroughs for the different material classes, describing their unique features, record performance, and contribution to lowering the cost of solar energy. In particular, while some progress has been made, we recognize that challenges such as the stability of the device under varying environmental conditions, the environmental impact of the materials, and the scalability of the manufacturing processes are still there. In conclusion, we give an overview of the research topics that can pave the way for the future. We support the formation of hybrid structures, the finding of lead-free alternatives, multi-junction architectures, and integrated solutions that not only help to overcome the current limitations but also facilitate the global energy transition. Full article

Thin-film solar cells (TFSCs) remain a cornerstone of the global transition toward renewable energy, characterized by consistent reductions in manufacturing costs and steady gains in power conversion efficiency. In addition to electricity generation, TFSCs play an important role in advanced solar thermal cooling, heating, and energy storage systems, where their tunable optical absorption, low thermal mass, and flexibility enable integration with photovoltaic–thermal (PV/T) collectors, thermally driven cooling cycles, and hybrid thermal–electrical storage architectures. This paper provides a comprehensive review of prominent TFSC technologies, including copper indium gallium selenide (CIGS), cadmium telluride (CdTe/CdS), amorphous silicon (a-Si), copper zinc tin sulfide (CZTS), organic photovoltaics (OPVs), and metal halide perovskite solar cells (PSCs), with a focus on their material structures, performance specifications, and current efficiency benchmarks. Compared to state-of-the-art reviews, this article distinguishes itself by addressing next-generation innovations, cross-domain solar thermal–photovoltaic applications, and economic analysis. Specifically, the integration of machine learning and simulation-based material dynamics is examined to accelerate material discovery, process optimization, and the characterization of novel TFPV components relevant to coupled thermal–electrical energy systems. Furthermore, the study explores how additive manufacturing is transforming the industry through the development of high-efficiency electrodes, electrohydrodynamic atomization for thin-film deposition, and the fabrication of flexible solar arrays suitable for thermally integrated and building-scale energy systems, including space applications. By integrating advancements in module efficiency, scalable manufacturing approaches, and techno-economic analysis, this paper positions TFSCs as sustainable, resource-abundant technologies essential for next-generation solar thermal cooling, heating, and energy storage infrastructures. Full article

Thick-film organic photovoltaics (OPVs) are key for scalable manufacturing, but increasing active-layer thickness usually lowers power conversion efficiency (PCE) due to charge recombination and limited carrier extraction. We report high-efficiency thick-film OPVs fully processed in air by doctor blading using non-halogenated solvents (o-xylene with 3.5% tetralin) for two non-fullerene acceptor systems: PM6:ITIC-4F and PTQ-10:ITIC-4F. Active layers (100–500 nm) were fabricated by adjusting the coating speed while keeping the ink concentration and gap constant. Under mild drying (40 °C, 2 min), both systems exhibited significant efficiency losses at 1 sun (AM1.5G) as the thickness increased, whereas performance was largely preserved under indoor LED illumination (200 lx and 1000 lx), enabling high performance for thick films. Short thermal post-annealing (80–140 °C, 2 min) further improved PCE by reducing bimolecular recombination and enhancing nanostructure. Optimized PM6:ITIC-4F devices reached 10.2% (300 nm) under 1 sun and 14.78% at 200 lx; PTQ-10:ITIC-4F achieved 11.3% (500 nm) under 1 sun and up to 15.71% at 200 lx. Morphological and structural analysis indicates that the superior thick-film performance of PTQ-10:ITIC-4F is linked to favorable phase behavior, polymer-rich surface composition, and preferential face-on molecular orientation, promoting charge collection. These results demonstrate that low-cost PTQ-10 and non-halogenated air processing can enable industrially relevant, high-performance thick-film OPVs. Full article

We report a notable enhancement in the performance of small-molecule-based organic photovoltaics (OPVs) through the use of a ternary blend comprising a small-molecule donor (DTS(FBTTh₂)₂), a polymer donor (PBDTTT-EFT), and a fullerene acceptor (PC₇₁BM). By optimizing the composition of this ternary active layer, we achieved a significant increase in power conversion efficiency from 7.99% to 9.08%. This improvement is attributed to the broader light absorption spectrum and enhanced charge transport pathways provided by the polymeric donor. PBDTTT-EFT optimizes the nanomorphology and ordering of the bulk heterojunction films and forms a cascade energy level that enhances charge carrier mobility. Our results demonstrate that semiconducting polymer donors can effectively control light absorption, charge transport, and exciton dissociation by optimizing morphology and crystallinity. This approach offers new possibilities for advancing the performance of various optoelectronic devices through strategic use of different semiconducting polymer donors. Full article

Novel A-D-A (acceptor–donor–acceptor)-type molecules were synthesized and tested in organic photovoltaics (OPV) devices. For a pristine film of compound 1b with a 2,2′-(naphtho[2,3-b]thiophene-4,9-diylidene)dipropanedinitrile A unit and carbazole-based donor D unit, efficient exciton splitting by intermolecular electron transfer was proved. The observation of the out-of-phase electron spin echo in the pristine 1b film unambiguously testifies to a high yield of charge-transfer state formation. Despite this, the yield of free charge generation in pristine 1b is low due to the fast geminate and non-geminate recombination. This process is detrimental for OPV performance when the compound capable of exciton self-splitting is used as an acceptor component of the bulk heterojunction (BHJ) active layer because of the fast charge recombination within this component. Exciton self-splitting can be of general significance for push–pull OPV acceptors or donors in bulk heterojunctions, although it can be masked by other photophysical processes in the BHJ active layer. This is the reason why molecules with a strong intermolecular charge-transfer band are not suitable components of the active layer of efficient OPV devices. Full article

Organic photovoltaics (OPVs) based on non-fullerene acceptors (NFAs) are rapidly advancing as lightweight, flexible, and low-cost solar technologies, with power conversion efficiencies approaching 20%. To ensure that environmental sustainability progresses symmetrically alongside performance improvements, it is essential to quantify the environmental footprint of these emerging technologies, particularly during early development stages when material and process choices remain adaptable. This study presents a cradle-to-gate life cycle assessment (LCA) of PTB7-Th:ZY-4Cl solar cells, aiming to identify asymmetries in environmental impact distribution and guide eco-efficient optimization strategies. Using laboratory-scale fabrication data, global warming potential (GWP), cumulative energy demand (CED), acidification (AP), eutrophication (EP), and fossil fuel depletion (FFD) were evaluated via the TRACI methodology. Results reveal that electricity consumption in thermomechanical operations (ultrasonic cleaning, spin coating, annealing, and stirring) disproportionately dominates most impact categories, while chemical inputs such as PEDOT:PSS, PTB7-Th:ZY-4Cl precursors, and solvents contribute significantly to fossil fuel depletion. Substituting grid electricity with renewable sources (hydro, wind, PV) markedly reduces GWP, and solvent recovery or replacement with greener alternatives offers further gains. Although extrapolation to a 1 m² pilot-scale module reveals impacts higher than established PV technologies, prospective scenarios with realistic efficiencies (10%) and lifetimes (10–20 years) suggest values of ~150–500 g CO₂-eq/kWh—comparable to fullerene OPVs and approaching perovskite and thin-film benchmarks. These findings underscore the value of early-stage LCA in identifying asymmetrical hotspots, informing material and process optimization, and supporting the sustainable scale-up of next-generation OPVs. Full article

Continuous flow synthesis and microwave-assisted synthesis represent two sustainable and efficient methods for polymer production aligned with green chemistry principles, compared to conventional polymer synthesis. Here we present a case study of poly(4,4-dioctyldithieno(3,2-b:2′,3′-d)silole)-2,6-diyl-alt-(2,1,3-benzothiadiazole)-4,7-diyl (PSBTBT), a low band-gap electron-donating polymer for organic photovoltaics (OPVs). The PSBTBT Stille cross-coupling polymerization conditions were optimized by comparing different synthetic methods: conventional, flow, and microwave. To assess the impact of the different synthetic methods, detailed molecular and spectroscopic characterization, highlighting both the differences and similarities within the methodologies, was performed with several techniques, such as GPC, UV-Vis, PL, and NMR. Full article

Ternary organic photovoltaics (OPVs) are considered as the next step beyond binary systems, aiming to achieve synergistic improvements in absorption, energetic alignment, and charge transport. However, despite their conceptual appeal, most ternary blends do not outperform binary counterparts, particularly under indoor illumination where photon flux and carrier dynamics impose strict limitations. To comprehensively understand this discrepancy, multiple ternary systems were systematically examined to ensure that the observed behaviors are representative rather than case specific. In this study, we systematically investigate this discrepancy by comparing representative donor–donor–acceptor (D–D–A) and donor–acceptor–acceptor (D–A–A) systems under both AM 1.5G and TL84 lighting. In all cases, the broadened absorption fails to yield effective photocurrent; instead, redundant excitations, reduced driving forces for charge separation, and disrupted percolation networks collectively diminish device performance. Recombination and transient analyses reveal that the third component often introduces energetic disorder and trap-assisted recombination instead of facilitating beneficial cascade pathways. Although the film morphology remains smooth, interfacial instability under low-light conditions further intensifies performance losses. The inclusion of several systems allows the identification of consistent mechanistic trends across different ternary architectures, reinforcing the generality of the conclusions. This work establishes a mechanistic framework linking molecular miscibility, energetic alignment, and percolation continuity to device-level behavior, clarifying why ternary strategies rarely deliver consistent efficiency improvements. Ultimately, indoor OPV performance is determined not by spectral breadth but by maintaining balanced charge transport and stable energetic landscapes, which represents an essential paradigm for advancing ternary OPVs from concept to practical application. Full article

Accurate identification of active-layer compositions in organic photovoltaic (OPV) devices often relies on invasive techniques such as electrical measurements or material extraction, which risk damaging the device. In this study, we propose a non-invasive classification approach based on simulated full-device absorption spectra. To account for fabrication-related variability, the active-layer thickness varied by over ±15% around the optimal value, creating a realistic and diverse training dataset. A multilayer perceptron (MLP) neural network was applied with various activation functions, optimization algorithms, and data split ratios. The optimized model achieved classification accuracies exceeding 99% on both training and testing sets, with minimal sensitivity to random initialization or data partitioning. These results demonstrate the potential of applying deep learning to spectral data for reliable, non-destructive OPV composition classification, paving the way for integration into automated manufacturing diagnostics and quality control workflows. Full article

Organic photovoltaic (OPV) technology, namely, organic solar cells (OSCs), have garnered attention as a sustainable and adaptable substitute for traditional silicon-based solar panels. Their lightweight construction, adaptability with various substrates, and capacity for low-energy production techniques make them formidable contenders for sustainable energy applications. Nonetheless, due to the swift advancement of OPV technology, there is increasing apprehension that existing life cycle assessment (LCA) studies may inadequately reflect their environmental consequences. This review aggregates and assesses LCA research to ascertain the extent to which existing studies accurately represent the genuine sustainability of OPVs. This paper conducts a comprehensive analysis of materials, manufacturing processes, device architecture, and end-of-life pathways, identifying methodological deficiencies, emphasizing critical environmental performance metrics, and examining how conceptual product design can improve environmental results. The results highlight the necessity for standardized, transparent LCA frameworks adapted to the changing OPV landscape. Full article

Conductive polymers play a crucial role in the advancement of modern technologies, particularly in the field of organic photovoltaics (OPVs). Due to advantages such as flexibility, low specific weight, ease of processing, and low production costs, polymeric materials present an attractive alternative to traditional photovoltaic materials. This study investigates the properties of a polymer blend composed of PCPDTBT (donor) and PNDI(2HD)2T (acceptor), used as the active layer in bulk heterojunction (BHJ) solar cells. The motivation behind this research was the search for a novel n-type polymer material with potentially better properties than the commonly used P(NDI2OD-T2). Comprehensive characterization of thin films made from the individual polymers and their blend was conducted using Fourier Transform Infrared Spectroscopy (FTIR), Atomic Force Microscopy (AFM), Scanning Electron Microscopy (SEM), Ultraviolet-Visible Spectroscopy (UV-Vis), four-point probe conductivity measurements, and photovoltaic testing. The prepared films were continuous, uniform, and exhibited low surface roughness (R_a < 2.5 nm). Spectroscopic analysis showed that the blend absorbs light in a broad range of the spectrum, with slight bathochromic shifts compared to individual polymers. Electrical measurements indicated that the blend’s conductivity (9.1 µS/cm) was lower than that of pure PCPDTBT but higher than that of PNDI(2HD)2T, with an optical band gap of 1.34 eV. Photovoltaic devices fabricated using the blend demonstrated an average power conversion efficiency (PCE) of 6.45%, with a short-circuit current of 14.37 mA/cm² and an open-circuit voltage of 0.89 V. These results confirm the feasibility of using PCPDTBT:PNDI(2HD)2T blends as active layers in BHJ solar cells and provide a promising direction for further optimization in terms of polymer ratio and processing conditions. Full article