Understanding and controlling the interfaces between different materials is crucial for developing solid oxide cells (SOCs) with both high performance and durability for low-temperature operation (<700 °C). Current research focuses on evaluating microstructural designs and composite material interactions to optimize SOC performance. Nanocomposite heterostructures exhibit unique properties at the interfaces, which are achieved through precise control of the composition, thickness, and surface chemistry. In this investigation, our goal was to develop nanocomposite films using a combination of a metal and a metal oxide. Specifically, we successfully fabricated Ag-CeGdO (Ag-CGO) nanocomposite thin films using pulsed laser deposition (PLD) in a single step. Dense Ag-CGO films with thicknesses of approximately 30 and 300 nm were grown on (100)-oriented yttria-stabilized zirconia (YSZ) substrates. The 300 nm-thick films exhibited an area-specific resistance (ASR) value of 22.6 Ω cm at 480 °C in a symmetrical cell configuration. This value is comparable to that of a micrometer scale-thick Ag electrode with a coarse porous microstructure. Therefore, Ag-CGO films represent a promising alternative to bulk Ag-based SOC electrodes by significantly reducing noble metal usage. The process described is suitable for integration into thin-film solid oxide fuel cell fabrication processes, as it eliminates the subsequent annealing step required to form a stable and active layer. Overall, this study provides valuable insights into enhancing the performance of metal/metal oxide thin films as SOC electrodes for low-temperature operation. While further investigations are necessary to optimize long-term stability, these films may also prove attractive for alternative catalytic applications operating at lower or ambient temperatures.

Hitherto, research into alkaline exchange membrane fuel cells lacked a commercial benchmark anionomer and membrane, analogous to Nafion in proton-exchange membrane fuel cells. Three commercial alkaline exchange ionomers (AEIs) have been scrutinized for that role in combination with a commercial platinum-group-metal-free Fe-N-C (Pajarito Powder) catalyst for the cathode. The initial rotating disc electrode benchmarking of the Fe-N-C catalyst's oxygen reduction reaction activity using Nafion in an alkaline electrolyte seems to neglect the restricted oxygen diffusion in the AEIs and is recommended to be complemented by measurements with the same AEI as used in the alkaline exchange membrane fuel cell (AEMFC) testing. Evaluation of the catalyst layer in a gas-diffusion electrode setup offers a way to assess the performance in realistic operating conditions, without the additional complications of device-level water management. Blending of a porous Fe-N-C catalyst with different types of AEI yields catalyst layers with different pore size distributions. The catalyst layer with Piperion retains the highest proportion of the original BET surface area of the Fe-N-C catalyst. The water adsorption capacity is also influenced by the AEI, with Fumion FAA-3 and Piperion having equally high capabilities surpassing Sustainion. Finally, the choice of the membrane influences the ORR performance as well; particularly, the low hydroxide conductivity of Fumion FAA-3 in the room temperature experiments mitigates the ORR performance irrespective of the AEI in the catalyst layer. The best overall performance at high current densities is shown by the Piperion anion exchange ionomer matched with Sustainion X37-50 membrane.

The high cost and low energy efficiency of conventional water electrolysis methods continue to restrict the widespread adoption of green hydrogen. Anion exchange membrane (AEM) water electrolysis is a promising technology that can produce hydrogen using cost-effective transition-metal catalysts at high energy efficiency. Herein, we investigate the catalytic activity of nickel and iron nanoparticles dispersed on metal-oxide supports for the oxygen evolution reaction (OER), employing electrochemical testing with an anion exchange ionomer to evaluate their potential for application in AEM electrolyzers. We report the electrochemical performance of NiFe nanoparticles of varying Ni:Fe ratios on CeO for OER reaction, assessing the overpotential, Tafel slope, and electrochemical stability of the catalysts. Our findings indicate that NiFe has the highest catalytic activity as well as stability. To further understand the role of different supports, we assess the electrocatalytic performance of NiFe nanoparticles on two more supports - TiO and ZrO. While CeO has the lowest overpotential, the other supports also show high activity and good performance at high current densities. TiO exhibits superior stability and its overpotential after chronopotentiometry measurements approaches that of CeO at high current densities. These results underscore the critical role of iron addition in enhancing nickel nanoparticles' catalytic activity and further emphasize the importance of metal oxide supports in improving catalyst stability and performance.

The advancement of smart materials is crucial for addressing the cross-cutting challenges of contemporary society. These materials are expected to help raise living standards through the expansion of smart cities, efficient management of natural resources, pollution control, and improvements in social welfare. Consequently, the multifunctionality of ferroelectric oxides makes them ideal candidates for meeting these demands. Among ferroelectric oxide materials, bismuth ferrite (BiFeO) stands out as a multiferroic compound with ferroelectric, ferroelastic, and antiferromagnetic properties at room temperature. It also has one of the lowest bandgaps among ferroelectrics, making it a photoferroelectric compound with both photovoltaic and photocatalytic properties. These responses can be fine-tuned by partially substituting Fe ions with selected cations or by creating solid solutions between BiFeO and other ferroelectric perovskites. BiFeO-based thin-film materials are regarded as ideal for harnessing the diverse properties of BiFeO in emerging technologies. Chemical solution deposition methods facilitate the design of crystallization pathways for metal oxides, such as BiFeO thin films, making them essential for developing low-temperature strategies that offer benefits ranging from reduced environmental impact to lower manufacturing costs. A greater challenge lies in preparing BiFeO films at temperatures compatible with their direct integration into flexible systems using polymeric substrates. This spotlight article highlights, through examples from our group's research over the past decade, the various applications of BiFeO-based perovskite thin films in emerging technologies. Interest is not only in devices based on rigid single-crystal substrates, like silicon, but also in those using flexible polymer substrates. Here, we discuss the promising opportunities of using low-cost, high-throughput solution deposition methods for producing multifunctional BiFeO-based perovskite films for future applications.

Transition metal dichalcogenides, particularly Nb-doped MoS, present unique electronic and thermoelectric properties that make them promising candidates for a variety of applications, including photovoltaic cells and thermoelectric devices. Here, we investigate the influence of controlled substitutional doping on the electrical conductivity and thermoelectric performance of MoS as a function of crystal thickness. We report an exceptional bulk conductivity of up to 360 ± 30 S cm and a peak power factor of 370 ± 80 μW m K at room temperature. Our findings reveal that the interplay between doping concentration and thickness can decouple the Seebeck coefficient from electrical conductivity, overcoming the typical trade-off observed in conventional materials. This research highlights the role of surface effects and depletion regions in p-type transition metal dichalcogenides, providing a pathway for developing efficient bipolar thermoelectric devices. The stability and tunability of p-type doping in MoS also suggest potential applications in microscale cooling, thermal sensors, and photovoltaic systems.

Band alignment (or band convergence) is a strategy suggested to provide improvements in the thermoelectric power factor (PF) of materials with complex bandstructures. The addition of more bands at the energy region that contributes to transport can provide more conducting paths and could improve the electrical conductivity and PF of a material. However, this can lead to increased intervalley scattering, which will tend to degrade the conductivity. Using the Boltzmann transport equation (BTE) and a multiband model, we theoretically investigate the conditions under which band alignment can improve the PF. We show that PF improvements are realized when intraband scattering between the aligned bands dominates over interband scattering, with larger improvements reached when a light band is brought into alignment. In the more realistic scenario of intra- and interband scattering coexistence, we show that in the light band alignment case, possibilities of PF improvement are present even down to the level where the intra- and interband scattering are of similar strength. For heavy band alignment, this tolerance is weaker, and weaker interband scattering is necessary to realize PF improvements. On the other hand, when interband scattering dominates, it is not possible to realize any PF improvements upon band alignment, irrespective of bringing a light or a heavy band into alignment. Overall, to realize PF improvements upon band alignment, the valleys that are brought into alignment need to be as electrically conducting as possible compared to the lower energy base valleys and interact as little as possible with those.

CuI is a well-known thermoelectric (TE) material recognized for its p-type characteristics. However, the development of its n-type counterpart and the integration of both p- and n-type CuI in thermoelectric generators (TEGs) remain largely unexplored. In this study, we successfully tuned the thermoelectric properties of CuI by strategically incorporating Ag, enabling the synthesis of both p-type (AgCuI) and n-type (AgCuI) materials using a cost-effective, greener, and scalable successive ionic layer adsorption and reaction (SILAR) method. The p-type AgCuI exhibited a figure of merit (ZT) of 0.47 at 340 K, driven by a high Seebeck coefficient of 810 μV·K. In contrast, the n-type AgCuI achieved an exceptional ZT of 2.5 at 340 K, attributed to an ultrahigh Seebeck coefficient of -1891 μV·K. These superior thermoelectric properties make CuI-based materials attractive alternatives to conventional TE materials, such as BiTe and PbTe, which are limited by toxicity and resource scarcity. Furthermore, a prototype thermoelectric glazing unit (5 × 5 cm) demonstrated a 14 K temperature differential, highlighting its dual functionality in power generation and building heat loss mitigation. These findings underscore the potential of low-cost CuI-based materials for advancing sustainable energy technologies.

A comparative study of Bi-doped Si-rich silicide phases, MgSiSn and MgSi, is reported, investigating in parallel two different synthetic routes: the solid-state reaction (SSR) and mechanical alloying (MA). Both synthetic routes produce the desired silicide phases. However, powder XRD Rietveld refinements reveal appreciable Mg and Sn losses for the SSR-developed MgSiSn, while EDS measurements also confirm Sn losses together with a decrease in the Bi content. This has a strong impact in electrical transport properties, indicating a severe electron doping deficiency. In contrast, the EDS results for MA-based phases are in a good agreement with the nominal values, indicating an effective Bi doping. Moreover, considering the Rietveld refinement results and SEM analysis, notable changes in the content of Mg interstitial atoms at the 4 crystallographic site seem to be correlated with the microstructure features of the two MA compounds. Electrical conductivity and Seebeck coefficient measurements confirm the aforementioned results. In addition, a small reduction in lattice thermal conductivity is observed for the two MA systems due to the nanostructuring effect. At 773 K, values of 0.85 and 0.6 are exhibited for MgSiSn and MgSi, respectively. MA is proven to be an advantageous route for the development of Si-rich phases since it provides a better control of doping and higher precision of produced stoichiometric compositions, while in parallel it is a straightforward and scalable method. The replacement of commercial Si by two types of recycled Si-kerf is also attempted here. The kerf-based materials exhibit small reductions in , giving prominence to the efforts to utilize more effectively recyclable Si.

Developing high-capacity and fast-charging anode materials is critical for achieving high-performance Li-ion batteries (LIBs). Herein, polycrystalline quaternary transition metal silicon sulfides, CuTSiS (T = Fe, Mn), were synthesized using a solid-state method and investigated as anode materials in LIBs. CuFeSiS retains a reversible capacity of 670 mAh g at 200 mA g for 400 cycles, while CuMnSiS suffers from a fast capacity loss in the initial 50 cycles. More importantly, CuFeSiS can maintain a reversible capacity of 379 mAh g after 700 cycles at a high current density of 2 A g, demonstrating high cyclic stability and fast-charging capacity. To further understand the structure degradation and phase transformation, we investigated the postcycling electrodes using multiple techniques, including the scanning electron microscope with energy-dispersive X-ray spectroscopy, X-ray diffraction, and X-ray photoelectron spectroscopy techniques. The results indicated that CuFeSiS undergoes reversible phase transitions with LiS as a major product component. To further assess the performance for practical applications, CuFeSiS was coupled with LiFePO to make LiFePO||CuFeSiS full cells, which delivered superior electrochemical performance. These results demonstrate great promise for using quaternary transition metal silicon sulfides as anodes to achieve low-cost and sustainable LIBs.

The Zintl compound CaAgSb was recently identified as a promising thermoelectric material with high hole mobility and low lattice thermal conductivity. The single parabolic band model predicts that a of ∼1 can be achieved if the carrier concentration can be tuned to ∼10 cm. However, the high inherent -type carrier concentration of ∼10 cm in CaAgSb has limited further optimization of in -type samples and has prevented -type doping. In this work, we use a combination of computational and experimental tools to study the Fermi-level tunability of CaAgSb. Defect calculations based on density functional theory (DFT) reveal that acceptor-type defects, in particular Ag-vacancies, are the dominant defect across the full chemical potential space. This pins the Fermi energy within the valence band, leading to predicted -type carrier concentrations that fluctuate within a narrow range. Crystal Orbital Hamilton Population (COHP) analysis shows that the Ag-Sb antibonding orbitals lie below the Fermi energy, which may explain the low Ag-vacancy formation energy in CaAgSb. Experimentally, we used a phase boundary mapping approach to explore the defect chemistry under different synthesis conditions. Samples were synthesized in the Ca-rich, Ag-rich, and Sb-rich regions of the phase diagram, and all were found to have high -type carrier concentrations, ranging from 6.0 × 10 to 1.8 × 10 cm, and therefore similar thermal and electronic properties, consistent with the defect calculations. Taken together, our results confirm that Ag vacancies act as killer defects in CaAgSb, posing the primary challenge for further improvement of thermoelectric performance.

The commercialization of silicon anodes requires polymer binders that are both mechanically robust and electrochemically stable in order to ensure that they can accommodate the volume expansion experienced during cycling. In this study, we examine the use of both low and high molecular weight (MW) polyacrylic acids (PAAs), and sodium polyacrylates (Na-PAAs), at different degrees of partial neutralization, as a possible binder candidate for use in silicon graphite anodes. High MW PAAs were found to have stable capacity retentions of 672 mAh g for over 100 cycles, whereas with the low MW PAAs the capacity was found to already have declined to 373 mAh g after the first 30 cycles. Furthermore, the partial neutralization of Na-PAA binder system was found to provide superior cycling performances, as compared to non-neutralized or fully neutralized PAA systems. The high MW and partially neutralized PAAs were also found to provide the electrode coatings with higher cohesion strengths, which allow for the electrodes' microstructure to be more effectively maintained over several cycles. Overall, these findings suggest that partially neutralized and higher MW PAAs are the more suitable polymer binder candidates for use within silicon-graphite anodes.

We fabricate a type of back-contact perovskite solar cell based on 1.5 μm-width grooves that are embossed into a plastic film whose opposing "walls" are selectively coated with either n- or p-type contacts. A perovskite precursor solution is then deposited into the grooves, creating individual photovoltaic devices. Each groove device is series-connected to its neighbors, creating minimodules consisting of hundreds of connected grooves. Here, we report on the fabrication of groove-based devices using slot-die coating to deposit the perovskite precursor and explore the structure of the perovskite in the grooves using a range of microscopy and spectroscopy techniques. Significantly, our devices do not contain any expensive or scarce elements such as indium, indicating that this technology is both sustainable and low-cost. Furthermore, all coating processes explored here were performed using roll-to-roll processing techniques. Our technology is therefore completely scalable and is consistent with high-throughput, low-cost manufacturing.

Developing sustainable, efficient catalysts for the electrocatalytic reduction of CO to valuable products remains a crucial challenge. Our research demonstrates that combining tin with nanostructured carbon support leads to a dynamic interface promoting the transformation of microparticles to nanoparticles directly during the reaction, significantly increasing the formate production up to 5.0 mol h g, while maintaining nearly 100% selectivity. Correlative electrochemistry-electron microscopy analysis revealed that the catalyst undergoes an self-optimization during CO electroreduction. It has been found that changes in the catalyst are caused by the breakdown of Sn particles driven by electrochemical reactions. The process of pulverization typically results in a decrease in the catalytic activity. However, when Sn particles are pulverized and reach approximately 3 nm in size on the surface of the nanotextured carbon support, the efficiency of the catalyst is maximized. This enhancement occurs because the -formed Sn nanoparticles exhibit better compatibility with the nanotextured support. As a result, the number of electrocatalytically active sites significantly increases, leading to a reduction in charge transfer resistance by more than 2-fold and an improvement in reaction kinetics, which is evidenced by changes in the rate-determining step. Collectively, these factors contribute to a 3.6-fold increase in the catalyst's activity while maintaining its selectivity for formate production.

This review article reports an overview of the recent developments in the field of electron delocalization study in organic conjugated molecules by utilizing the vibration frequencies exhibited by the attached functional groups such as nitrile (-C≡N), alkyne (-C≡C-), or carbonyl (-C=O). A brief introduction to electron delocalization, methods for study, and their importance is given first, followed by the application of infrared spectroscopy in organic molecules. Details of molecules with various infrared reporter groups have been explained in respective subsections based on the functional groups. All the reported organic molecules have been structured and presented with the electron delocalization properties studied using an infrared reporter group. Finally, an outlook on this recently promising, exciting, and interesting field of probing electron delocalization using infrared reporter groups is provided.

In this study, we investigate how structural modifications induced by Fe substitution with Ni in the TiFe intermetallic alloy affect the thermodynamics of hydride formation and decomposition. The primary goal of substituting Fe with Ni was to reduce the plateau pressure of TiFe, a crucial parameter for reversible solid-state hydrogen storage applications under near-ambient conditions (below 150 °C and 50 bar). Alloy compositions TiFe Ni with ≤ 0.30 were synthesized by arc melting. The structural and morphological properties were characterized using powder X-ray diffraction and scanning electron microscopy with energy-dispersive X-ray spectroscopy. The thermodynamic properties were investigated through volumetric measurements using a Sieverts' apparatus and calorimetric analysis with a high-pressure differential scanning calorimeter. We show that Ni incorporation effectively lowers the plateau pressure, stabilizing the hydride thermodynamics due to a more negative enthalpy of hydride formation. Moreover, the entropy of hydride formation increases with the Ni content, resulting in a linear correlation between the enthalpy and entropy values determined at different compositions. The enthalpy-entropy compensation effect was analyzed to determine whether it arises from statistical artifacts or is genuine to the system, as our findings suggest.

The transition to a hydrogen-based economy necessitates the development of safe, cost-effective hydrogen storage media at an industrial scale. The equiatomic intermetallic titanium-iron (TiFe) alloy is a prime candidate for stationary hydrogen applications due to its high volumetric storage density, nontoxicity, and safety attributes. However, the conventional synthesis of TiFe alloy relies on high purity titanium and iron metal feedstocks, which must first be extracted from their respective ores before being alloyed in equiatomic ratio. This is a complex, multistep process posing environmental and economic challenges associated with the extraction of metallurgical-grade titanium. Here, we propose an alternate straightforward synthesis pathway for TiFe alloy through the direct calciothermic reduction of ilmenite sand (FeTiO). Initial small-scale experiments have achieved a maximum TiFe yield of approximately 52 wt %, with similar yields observed when scaling up to 100 g samples. The TiFe alloy produced via this pathway demonstrated a hydrogen storage capacity of approximately 0.71 wt % after activation at 65 bar, indicating that direct metallothermic reduction of ilmenite sand represents an attractive alternative production route for hydrogen storage alloys, which offers economic and sustainability advantages over the existing industrial pathway.

In order to increase the energy density and improve the cyclability of lithium-sulfur (Li-S) batteries, a combined strategy is devised and evaluated for high-performance Li-S batteries. It consists of the following steps to reduce the loss of active sulfur and sulfides migrating in the liquid electrolyte to the anode and add electrocatalyst groups in the cathode or catholyte: (i) A hollow porous nanoparticle coating cathode host with a pseudocapacitive PEDOT:PSS binder that also contributes to trapping polysulfides. (ii) A thin interlayer of B-N-graphene (BNG) nanoplatelets on the above cathode trapping polysulfides while participating in the electron transfer and acting as an electrocatalyst, thus ensuring that the trapped sulfides remain active in the cathode. (iii) Added semiconductor phthalocyanine VOPc or CoPc to form an electrocatalyst network in the catholyte, trapping polysulfides and promoting their redox reactions with Li ions. (iv) Added silk fibroin in the liquid electrolyte, which also suppresses dendritic growth on the lithium anode. This strategy is evaluated step-by-step in Li-S battery cells characterized experimentally and in simulations based on a multipore continuum physicochemical model with adsorption energy data supplied from molecular dynamics simulations. The thin BNG interlayer sprayed on the cathode proved a decisive factor in improving cell performance in all cases. A Li-S cell combining features from (i), (ii), and (iv) and with 45 wt % S in the cathode yields 1372 mAh g at first discharge and 920 mAh g at the 100th discharge after a cycling schedule at different C-rates. A Li-S cell combining features from (i), (ii), and (iii) and with 55 wt % S in the cathode yields 805 and 586 mAh g at the first and the 100th discharge, respectively.

Since their appearance on the scene, MXenes have been recognized as promising anode materials for rechargeable batteries, thanks to the combination of structural and electronic features. The layered structure with a suitable interlayer distance, good electronic conductivity, and moldability in composition makes MXenes exploitable both as active and support materials for the fabrication of nanocomposites providing both capacitive and Faradaic contributions to the final capacity. Although a variety of possibilities has been explored, the fundamental mechanism of the electrode reaction is still hazy. We herein report the investigation of TiCT MXenes, the benchmark composition for application in energy storage, through the combined operando X-ray absorption spectroscopy (XAS) and Raman analysis supported by density functional theory (DFT) calculations with the aim of clarifying the origin and nature of capacity when the material was cycled vs Na. The electrode reaction determined was TiCX + 1Na → NaTiCX, defining the theoretical capacity.

Nanostructured SiOx (0 ≤ ≤ 2) materials are key for boosting energy density in next-generation Li-ion battery anodes, with the magnesiothermic reduction reaction (MgTR) emerging as a scalable pathway for their production from nanoporous SiO. In MgTR, SiO reacts with Mg at moderate temperatures to form Si and MgO, enabling the preservation of nanostructured features. However, the widespread application of MgTR is hindered by the strong influence of reaction parameters on process dynamics, which leads to the uncontrolled formation of multiple byproducts that not only reduce the Si yield but also require the use of hazardous hydrofluoric acid (HF) for their removal, hampering the synthesis of SiO due to HF's reactivity with SiO. Hence, a comprehensive understanding of MgTR dynamics and its interplay with reaction parameters constitutes an essential prerequisite toward the effective synthesis of advanced Si and SiO nanostructures. In this work, a systematic approach combining a set of independent time-resolved in situ synchrotron X-ray diffraction studies was employed to provide for the first time a comprehensive understanding of MgTR dynamics under varied reaction conditions, including varied SiO source (amorphous vs crystalline), different SiO-to-Mg ratios, and different heating ramps. This approach allowed to unveil a complete picture of MgTR and to identify key conditions to prevent byproduct formation. This advancement marks a critical step toward the large-scale zero-carbon footprint synthesis of Si-based anodes for Li-ion batteries, serving as general guidelines for the controlled synthesis of high-purity Si and SiO advanced materials.

This paper reports on several mechanisms of carbon aging in a hybrid lithium-ion capacitor operating with 1 mol L LiPF in an ethylene carbonate/dimethyl carbonate 1:1 vol/vol electrolyte. Carbon electrodes were subjected to a constant polarization protocol (i.e., floating) at various voltages and analyzed postmortem via several complementary techniques. The selected protocol was able to simulate the behavior of the real system. Due to the use of metallic lithium as the counter electrode, the influence of battery-like aging mechanisms was assumed to be limited. Our approach focused on the aging mechanisms related to the carbon electrode and determined the structural and chemical changes leading to energy fading in lithium-ion hybrid capacitors. It was shown that an increase in applied voltage not only results in faster system degradation but directs the aging chemistry to different pathways: at moderate voltage values, both capacitance loss and simultaneous increase in resistance predominate. This could be associated with the decrease in carbon surface area and possible pore clogging with by-products of electrolyte degradation and carbon oxidation disrupting the C sp network. When high voltage is applied, further oxidation of carbon occurs with an increase in measured resistance that leads to the relevant end-of-life criterion to be reached. Detailed postmortem analysis results attributed it to the formation of phenol and ether groups together with electrolyte decomposition products, higher oxidation levels, and structure degradation. It was evidenced that the decrease in the overall carbon conductivity and, in certain cases, modification of the textural properties ultimately aggravates the capacitor performance.

Organic solar cells (OSCs) are attracting significant attention due to their low cost, lightweight, and flexible nature. The introduction of nonfullerene acceptors (NFAs) has propelled OSC development into a transformative era. However, the limited availability of wide band gap polymer donors for NFAs poses a critical challenge, hindering further advancements. This study examines the role of developed wide band gap halogenated pyrrolo[3,4-]pyrrole-1,3(2H,5H)-dione (PPD)-based polymers, in combination with the Y6 nonfullerene acceptor, in bulk heterojunction (BHJ) OSCs. We first focus on the electronic and absorbance modifications brought about by halogen substitution in PPD-based polymers, revealing how these adjustments influence the HOMO/LUMO energy levels and, subsequently, photovoltaic performance. Despite the increased of halogenated polymers due to the optimal band alignment, power conversion efficiencies (PCEs) were decreased due to suboptimal blend morphologies. We second implemented PPD as a solid additive to PM6:Y6, forming ternary OSCs and further improving the PCE. The study provides a nuanced understanding of the interplay between molecular design, device morphology, and OSC performance and opens insights for future research to achieve an optimal balance between band alignment and favorable blend morphology for high-efficiency OSCs.