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At least 775 records · Page 43

Toward Mass-Production of Transition Metal Dichalcogenide Solar Cells: Scalable Growth of Photovoltaic-Grade Multilayer WSe2 by Tungsten Selenization

Semiconducting transition metal dichalcogenides (TMDs) are promising for high-specific-power photovoltaics due to their desirable band gaps, high absorption coefficients, and ideally dangling-bond-free surfaces. Despite their potential, the majority of TMD solar cells to date are fabricated in a nonscalable fashion, with exfoliated materials, due to the lack of high-quality, large-area, multilayer TMDs. Here, we present the scalable, thickness-tunable synthesis of multilayer WSe2 films by selenizing prepatterned tungsten with either solid-source selenium at 900 degrees C or H2Se precursors at 650 degrees C. Both methods yield photovoltaic-grade, wafer-scale WSe2 films with a layered van der Waals structure and superior characteristics, including charge carrier lifetimes up to 144 ns, over 14x higher than those of any other large-area TMD films previously demonstrated. Simulations show that such carrier lifetimes correspond to ~22% power conversion efficiency and ~64 W g-1 specific power in a packaged solar cell, or ~3 W g-1 in a fully packaged solar module. The results of this study could facilitate the mass production of high-efficiency multilayer WSe2 solar cells at low cost.

carrier lifetime↗

Solvation of NiO x for hole transport layer deposition in perovskite solar cells

In this work, a series of nickel oxide (NiO x ) inks, in the perovskite antisolvent chlorobenzene (CB) containing 15% ethanol, were prepared for the fabrication of p-i-n perovskite solar cells by blade coating. The inks included triethylamine (Et 3 N) and alkyl xanthate salts as ligands to disperse NiO x particle aggregates and stabilize suspension. A total of four inks were evaluated: 0X (Et 3 N with no alkyl xanthate), 4X (Et 3 N + potassium n-butyl xanthate), 12X (Et 3 N + potassium n-dodecyl xanthate), and 18X (Et 3 N + potassium n-octadecyl xanthate). The inks were characterized by UV-visible spectroscopy and FT-IR spectroscopy and the resulting films analyzed by thermogravimetry and scanning electron microscopy. Devices prepared using the 0X ink resulted in a peak power conversion efficiency (PCE) of 14.47% (0.25 cm 2 ) and 9.96 % (1 cm 2 ). The 0X devices showed no significant loss of PCE after 100 days in a nitrogen flow box. Devices prepared with inks containing alkyl xanthate ligand had lower PCE that decreased with decreasing chain length, 18X > 12X > 4X.

14 SOLAR ENERGY↗

Behind the Meter Storage for Electric Vehicle Charging, Electrochemical and Thermal Energy Storage, and Solar Photovoltaic

In response to the potentially large and irregular demand from EVs, along with changing load profiles from buildings with on-site generation, utilities are evaluating multiple options for managing dynamic loads, including time-of-use pricing, demand charges, battery storage, and curtailment of variable generation. Buildings, as well as commercial, public, and workplace EV charging operations, can use a combination of electrochemical battery storage and thermal energy storage coupled with on-site generation to manage energy costs as well as provide resiliency and reliability for EV charging and building energy loads. We are completing a behind the meter storage analysis that focuses on determining the optimal system designs and energy flows for thermal and electrochemical behind the meter storage with on-site solar photovoltaic (PV) generation enabling electric vehicle charging in various climates, building types, and utility rate structures. In completing this analysis, we have developed a tool that combines existing battery models via the System Advisor Model (SAM) and building modeling software via EnergyPlus into a single interface. This tool allows us to simulate a building with a detailed battery model to properly size the battery, thermal energy storage, and solar PV systems to maximize profit for the system owner. This also allows us to assess how the battery degrades under various supervisory control dispatch algorithms to control charging/discharging; we can also see how thermal energy storage is created and used to complement the battery to reduce thermal loads in the building. With this project, we can analyze new batteries that are designed specifically for energy storage, rather than designed to be extremely energy dense for electric vehicle applications, using battery lifetime models from other national labs and the existing SAM battery model, which has detailed lifetime and degradation parameters. We can also assess novel thermal storage technologies by integrating them into the whole building energy simulation program EnergyPlus. Because the model calls both SAM and EnergyPlus, required inputs need to be compatible for both models. These inputs include, on a high-level, the following: weather files, building and electric vehicle load profiles, electricity rate tariff information, and system cost information for the stationary battery, solar PV, and thermal storage system. The various buildings we are studying for this analysis are retail big-box grocery store, commercial office building, fleet vehicle depot and operations facility, multi-family residential, and electric vehicle charging station. For these different applications, the battery and thermal storage will be dispatched differently, and the various technologies are sized differently to optimize cost.

30 DIRECT ENERGY CONVERSION↗

Optimized NiTe 2 /Ni back contacts via chemical deposition for high performance CdTe solar cells

The development of efficient and stable back contacts remains a major challenge in achieving high performance and long-term stability of CdTe thin-film solar cells. Here, this work revisits the formation of NiTe 2 by chemical bath deposition (CBD) as a back contact for CdTe devices. An optimized CBD recipe, based on high-purity precursors and the addition of copper chloride directly into the bath, was developed and applied to fabricate Cu-doped CdTe solar cells. A modified Cu-free methodology was also applied to Group V doped absorbers. The process included pinhole filling, ion milling, CBD, annealing, and sputtering to form a low-barrier back contact. Devices fabricated using this method achieved consistent open-circuit voltages (V oc ) above 800 mV and fill factors (FF) exceeding 70%. The best Cu-doped devices reached power conversion efficiencies (PCE) above 18 %, and preliminary results with Group V-doped material demonstrated compatibility of the method with high-efficiency, state-of-the-art CdTe devices. This study shows that NiTe 2 /Ni back contacts, formed via an optimized chemical process followed by sputtering of Ni, represent a promising pathway for achieving low-barrier and potentially stable back contacts in modern CdTe photovoltaics.

14 SOLAR ENERGY↗

High‐Performance Ternary Organic Solar Cells with Enhanced Luminescence Efficiency and Miscibility Enabled by Two Compatible Acceptors

Abstract The ternary strategy has proven to be an effective method for improving the efficiency of organic solar cells (OSCs). However, designing and selecting the third component still pose challenges. In this study, this issue is addressed by focusing on the PBDB‐T:Y18‐F binary system and introducing a new, strong luminescent, asymmetric small‐molecule acceptor (SMA) called L8‐CBIC‐Cl, which shares a similar skeleton with Y18‐F. The similarity in molecular framework facilitates good compatibility between the two acceptors, resulting in the formation of an alloy‐like acceptor phase. Furthermore, the norbornenyl‐modified end group in L8‐CBIC‐Cl contributes to its strong luminescent properties, which in turn leads to a low non‐radiative energy loss and a high open‐circuit voltage. Consequently, the PBDB‐T:L8‐CBIC‐Cl:Y18‐F based ternary devices realize a high power conversion efficiency (PCE) up to 17.01%, which is higher than PBDB‐T:Y18‐F device (14.49%). Importantly, L8‐CBIC‐Cl exhibits a good universality as a guest acceptor in other three binary systems (D18:Y6, D18:BTP‐eC9‐4F, and D18:L8‐BO). The D18:L8‐BO:L8‐CBIC‐Cl device shows an impressive efficiency of 19%. The work demonstrates that employing SMA with a high PLQY and better miscibility with host acceptor as the third component has a great potential for developing high‐efficiency ternary OSCs.

Chemistry↗

Incorporating Potassium Citrate to Improve the Performance of Tin‐Lead Perovskite Solar Cells

Abstract Easy‐to‐form tin vacancies at the buried interface of tin‐lead perovskites hinder the performance of low‐bandgap perovskite solar cells (PSCs). Here, a synergistic strategy by incorporating potassium citrate (PC) into the poly(3,4‐ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) hole‐transport layer to passivate the buried interface of Sn‐Pb PSCs is reported. PC neutralizes the acidity of PEDOT:PSS and stabilizes the perovskite front surface, enhancing device stability. Citrate moieties coordinate with Sn 2+ on the buried perovskite surface, preventing Sn 2+ oxidation and suppressing defect formation. Additionally, potassium cations incorporate into Sn‐Pb perovskites, enhancing crystallinity and passivating halide defects. The combined benefits enable efficient low‐bandgap Sn‐Pb PSCs with a power conversion efficiency of 22.7% and a high open‐circuit voltage of 0.894 V. Using this method, 26.1% efficiency for all‐perovskite tandem solar cells is demonstrated. These results emphasize the significance of buried interface passivation in developing efficient and stable Sn‐Pb PSCs and all‐perovskite tandem solar cells.

14 SOLAR ENERGY↗

Enhancing exciton diffusion by reducing energy disorder in organic solar cells

A highly crystalline, highly emissive, and wide-bandgap polymer AC174 with an extremely small Stokes shift is designed and synthesized in water, and is used to reduce system energetic disorder and increase the exciton diffusion length of the classical PM6:Y6 blend system. AC174 is incompatible with PM6 and Y6, improves molecular packing, and reduces system energetic disorder. The long-range Förster resonance energy transfer between the donor and acceptor is enhanced, and the exciton diffusion constant and exciton lifetime are increased, leading to a longer exciton diffusion length and more efficient exciton dissociation and charge generation. The addition of AC174 simultaneously improves the open-circuit voltage, short-circuit current density (J SC ) and fill factor of PM6:Y6 devices; especially the highest internal quantum efficiency approaches 100%, and the highest J SC is 28.4 mA cm –2 . Ternary devices with 5% AC174 in the donors achieve a power conversion efficiency of 17.2%, higher than those of the parent binary devices based on PM6:Y6 (15.9%) and AC174:Y6 (3.24%).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The anisotropic nature of singlet fission in single crystalline organic semiconductors

The escalating global energy predicament implores for a revolutionary resolution—one that converts sunlight into electricity—holding the key to supreme conversion efficiency. This comprehensive review embarks on the exploration of the principle of generating multiple excitons per absorbed photon, a captivating concept that possesses the potential to redefine the fundamental confines of conversion efficiency, albeit its application remains limited in photovoltaic devices. At the nucleus of this phenomenon are two principal processes: multiple exciton generation (MEG) within quantum-confined environments, and singlet fission (SF) inside molecular crystals. The process of SF, characterized by the cleavage of a single photogenerated singlet exciton into two triplet excitons, holds promise to potentially amplify photon-to-electron conversion efficiency twofold, thereby laying the groundwork to challenge the detailed balance limit of solar cell efficiency. Our discourse primarily dissects the complex nature of SF in crystalline organic semiconductors, laying special emphasis on the anisotropic behavior of SF and the diffusion of the subsequent triplet excitons in single-crystalline polyacene organic semiconductors. We initiate this journey of discovery by elucidating the principles of MEG and SF, tracing their historical genesis, and scrutinizing the anisotropy of SF and the impact of quantum decoherence within the purview of functional mode electron transfer theory. We present an overview of prominent techniques deployed in investigating anisotropic SF in organic semiconductors, including femtosecond transient absorption microscopy and imaging as well as stimulated Raman scattering microscopies, and highlight recent breakthroughs linked with the anisotropic dimensions of Davydov splitting, Herzberg–Teller effects, SF, and triplet transport operations in single-crystalline polyacenes. Through this comprehensive analysis, our objective is to interweave the fundamental principles of anisotropic SF and triplet transport with the current frontiers of scientific discovery, providing inspiration and facilitating future ventures to harness the anisotropic attributes of organic semiconductor crystals in the design of pioneering photovoltaic and photonic devices.

Chemistry↗

Effect of Molecular Conformation on Intermolecular Interactions and Photovoltaic Performances of Giant Molecule Acceptors

The molecular conformation of giant molecule acceptors (GMAs) plays a significant role in regulating the intermolecular interactions and their photovoltaic performances in organic solar cells (OSCs). For the linear GMA GT‐l, the stronger homo‐molecular interaction causes its aggregation being weakly affected by the donor, thus forming an ordered molecular stacking and proper phase separation in its blend film. The star‐shaped GMA GT‐s‐based blend film shows a dominant hetero‐molecular interaction that suppresses the aggregation of the donor and acceptor, resulting in smaller phase separation and more uniform vertical phase distribution. While for another star‐shaped GMA GTs, the weakest hetero‐molecular interaction causes its blend film to form larger phase separation. Therefore, the GT‐l based OSC with PM6 as donor shows the highest charge mobilities, the fastest charge transfer (CT) process, reduced energy loss and less charge recombination, contributing to a higher power conversion efficiency (PCE) of 19.03%. Comparatively, the PCEs of the OSCs based on GTs and GT‐s are 18.05% and 17.58% respectively. Notably, all the three GMAs based OSCs show excellent thermal stability and long‐term storage stability. This study provides a facile strategy by tuning the linking unit and its connecting mode for designing highly efficient and stable organic photovoltaic materials.

Chemistry↗

Consideration of temperature-dependent emissivity of selective emitters in thermophotovoltaic systems

Spectral emissivity control is paramount for designing a high-efficiency selective emitter surface required for thermophotovoltaic (TPV) applications. Owing to the temperature dependency of materials optical constants, the spectral properties of a selective emitter surface changes with the emitter temperature. This paper presents the fabrication of a multilayer metal-dielectric ( ${\rm Si}_{3}{\rm N}_{4}/\rm W/Si_{3}{\rm N_{4}}$ ) coated tungsten selective emitter aimed for GaSb-based TPV systems and studies the dependence of its surface spectral emissivity, $\varepsilon (\lambda)$ , upon a temperature ranging from 300 K to 1500 K. Both the simulation and experimental methods were used to characterize $\varepsilon (\lambda)$ as a function of temperature. For wavelengths less than 1.4 µm, $\varepsilon (\lambda)$ was found to have a minimal dependence on temperature. Beyond 1.4 µm, $\varepsilon (\lambda)$ increases with the temperature. At 1.55 µm, the simulation and experimental data estimated a ${\sim}{{4}}\%$ greater emissivity at 1500 K than at room temperature. At 1500 K, the increased $\varepsilon (\lambda)$ at longer wavelengths lowered the spectral conversion efficiency of the selective emitter from 58% to 47%. The output power density, sub-bandgap loss, and TPV conversion efficiency ( ${\eta _{\rm TPV}}$ ) for a GaSb cell illuminated by the selective thermal emitter at 1500 K were estimated. ${\eta _{\rm TPV}}$ drops from 13.7% to 11% due to the increased sub-bandgap emission at 1500 K. Essential approaches for mitigating the sub-bandgap losses to further improve ${\eta _{\rm TPV}}$ are also discussed.

42 ENGINEERING↗

Te/CdTe and Al/CdTe Interfacial Energy Band Alignment by Atomistic Modeling

A synergistic approach that incorporates first-principles atomistic modeling with numerical device simulations is used to systematically evaluate the role of heterointerfaces within metal-chalcogenide-based photovoltaic technologies. Two interfaces involving either a tellurium back contact or aluminum back electrode combined with a cadmium telluride absorber layer within cadmium-telluride-based thin-film solar cells are investigated on an atomic scale to determine the mechanisms contributing to variations in device performance. Electronic structures and predicted charge transport behavior with respect to cadmium and tellurium termination of the absorber layer are studied along the polar oriented CdTe{111} facets. The computational methodology reveals a noticeable contrast between the Schottky barrier forming Al/CdTe interface versus the Type I Te/CdTe heterojunction. Greater band bending features are exhibited by the cadmium termination as opposed to the tellurium termination for each interface case. Subsequent device modeling suggests that 3.6% higher photovoltaic conversion efficiency is achievable for the cadmium termination relative to the tellurium termination of the Te/CdTe interface. Based strictly on an idealistic representation, both interface models show the importance of atomic-scale interfacial properties for cadmium telluride solar cell device performance with their bulk properties being validated in comparison to published experimental data. Here, the synergistic approach offers a suitable method to analyze solar cell interfaces through a predictive computational framework for the engineering and optimization of metal-chalcogenide-based thin-film photovoltaic technologies.

Green’s function↗

C60-Based Ionic Salt Electron Shuttle for High-Performance Inverted Perovskite Solar Modules

Although C60 is usually the electron transport layer (ETL) in inverted perovskite solar cells, its molecular nature of C60 leads to weak interfaces that lead to non-ideal interfacial electronic and mechanical degradation. Here, we synthesized an ionic salt from C60, 4-(1',5'-dihydro-1'-methyl-2'H-[5,6] fullereno-C60-Ih-[1,9-c]pyrrol-2'-yl) phenylmethanaminium chloride (CPMAC), and used it as the electron shuttle in inverted PSCs. The CH2-NH3+ head group in the CPMA cation improved the ETL interface and the ionic nature enhanced the packing, leading to ~3-fold increase in the interfacial toughness compared to C60. Using CPMAC, we obtained ~26% power conversion efficiencies (PCEs) with ~2% degradation after 2,100 hours of 1-sun operation at 65degrees C. For minimodules (four subcells, 6 centimeters square), we achieved the PCE of ~23% with <9% degradation after 2,200 hours of operation at 55degrees C.

14 SOLAR ENERGY↗

Carbon Electrode with Sputtered Au Coating for Efficient and Stable Perovskite Solar Cells

Halide perovskite solar cells (PSCs) represent a low-cost and high-efficiency solar technology. However, most of the highly efficient PSCs need a noble electrode, such as Au, through thermal evaporation. Here it is reported that a sputtered Au electrode on a PSC could damage the organic hole transport layer (HTL) and the perovskite layer. Here, we report a simple, yet effective sputtered gold nanoparticle decorated carbon electrode to fabricate efficient and stable planar PSCs. The sputtered Au layer on the doctor-bladed coated carbon electrode can be directly applied to the perovskite semicells by mechanical stacking. By optimizing the gold thickness, a power conversion efficiency (PCE) of 16.87% was obtained for the composite electrode-based PSC, while the reference device recorded a PCE of 12.38%. The composite electrode-based device demonstrated 96% performance retention after being stored under humid conditions (50-60%) without encapsulation for ~100 h. This demonstrates a promising pathway toward the commercialization of large-scale manufacturable sputtered electrodes for the PSC solar module.

14 SOLAR ENERGY↗

Thermodynamic guiding principles of high-capacity phase transformation materials for splitting H 2 O and CO 2 by thermochemical looping

Here, thermochemical looping splitting of water and carbon dioxide (CO 2 ) with greenhouse-gas-free (GHG-free) energy has the potential to help address the Gt-scale GHG emissions challenge. Reaction thermodynamics largely contributes to the main bottlenecks of cost reduction for thermochemical looping water/CO 2 splitting cycle. Here, we analyze thermodynamic driving forces in such cycles with two-phase ternary ferrites as model systems. We find that cation configurational entropy chiefly determines the change of partial molar entropy with oxygen stoichiometry. In addition, our phase diagram analysis accurately predicts the optimal Fe ratio for maximal water/CO 2 splitting capacity in thermal reduction and in chemical reduction based cycles, underlining the significance of phase boundary positions. With chemical reduction, >10% CO 2 conversion and high oxygen exchange capacity can both be achieved. Furthermore, our reduced Gibbs free energy model illustrates critical thermodynamic factors that influence the water/CO 2 splitting capacity. Our research reveals the thermodynamic driving forces underlying the unconventional high-capacity Fe-poor ferrites, further explained via phase diagrams of Fe–Co–O, Fe–Ni–O and Fe–Mg–O. Future materials improvements can be guided by our reduced Gibbs free energy model.

08 HYDROGEN↗

Enabling bifacial thin film devices by developing a back surface field using Cu x AlO y

Bifacial solar cells have the potential to increase the energy yield per unit area over traditional monofacial devices without significant added cost, driving $/kWh costs lower and accelerating the adoption of solar photovoltaics. However, the performance of bifacial thin film solar cells significantly lags that achieved by crystalline silicon cells. Here we incorporate wide bandgap Cu x AlO y as a back buffer layer for CdTe devices and achieve a backside illuminated device with high current density and high fill factor. Moreover, these values remain nearly constant even as the absorber layer thickness changes, indicating that a fully-depleted device is not required for efficient charge collection. We show that this response is indicative of a back surface field, albeit with a persistent high back surface recombination velocity. By managing electron reflection, we achieved a backside illumination conversion efficiency of 7.1% and bifaciality of 0.55 for a 3.3 µm CdTe device and 8.0% and 0.62 for a 2 µm device. Future improvements can be made by identifying and incorporating a passivation material that reduces the back surface recombination velocity.

36 MATERIALS SCIENCE↗

Role of Alkali-Metal Cations in Electronic Structure and Halide Segregation of Hybrid Perovskites

The ability to control or prevent phase segregation in perovskites is crucial to realizing stable and tunable mixed-halide optoelectronic devices. Here, we systematically examine the impact of alkali-metal-cation (Cs + and K + ) concentration on the band structure, chemical composition, phase segregation, and polycrystalline microstructure on formamidinium-dominated mixed-halide mixed-cation perovskite films. It was found that the incorporation of Cs + and K + cations decreases the work function and the core levels of all components shift toward higher binding energy consistent with n-doping the perovskite film, which facilitates electron transfer to the electron transport layer TiO 2 . A concentration-dependent film structure was observed by X-ray photoemission spectroscopy and grazing incidence wide-angle X-ray scattering where the halides and cations are distributed evenly across perovskite films at low metallic cation concentration (5%). A high metal-cation ratio (20%) leads to halide segregation within the perovskite film and the surface becomes bromide-poor, whereas the bromide and metal cations diffuse more deeply within the film. These differences in electronic properties, element distribution, and film morphology were reflected in the device performance where the power conversion efficiency of low-metallic-cation concentration (5% of Cs + and K + ) perovskite solar cells is ≈5% higher than the high-concentration ones (20%). This study provides valuable chemical and physical insight into the underlying trade-offs in the careful tuning of electrical properties and film structure to optimize multication and mixed-halide hybrid perovskites.

36 MATERIALS SCIENCE↗

Rationalizing energy level alignment by characterizing Lewis acid/base and ionic interactions at printable semiconductor/ionic liquid interfaces

Charge transfer and energy conversion processes at semiconductor/electrolyte interfaces are controlled by local electric field distributions, which can be especially challenging to measure. Furthermore, we leverage the low vapor pressure and vacuum compatibility of ionic liquid electrolytes to undertake a layer-by-layer, ultra-high vacuum deposition of a prototypical ionic liquid EMIM + (1-ethyl-3-methylimidazolium) and TFSI – (bis(trifluoromethylsulfonyl)-imide) on the surfaces of different electronic materials. We consider a case-by-case study between a standard metal (Au) and four printed electronic materials, where interfaces are characterized by a combination of X-ray and ultraviolet photoemission spectroscopies (XPS/UPS). For template-stripped gold surfaces, we observe through XPS a preferential orientation of the TFSI anion at the gold surface, enabling large electric fields (~10 8 eV m –1 ) within the first two monolayers detected by a large surface vacuum level shift (0.7 eV) in UPS.

14 SOLAR ENERGY↗

Low-bandgap mixed tin–lead iodide perovskites with reduced methylammonium for simultaneous enhancement of solar cell efficiency and stability

High-performance perovskite/perovskite tandem solar cells require high-efficiency and stable low-bandgap perovskite subcells. State-of-the-art low-bandgap mixed tin–lead iodide perovskite solar cells exhibit either a high power-conversion efficiency or improved stability, but not both. In this article we report a two-step bilayer interdiffusion growth process to simultaneously meet both requirements for formamidinium-based low-bandgap mixed tin–lead iodide perovskite solar cells. The bilayer interdiffusion growth process allows for the formation of high-quality and large-grained perovskite films with only 10 mol% volatile methylammonium. Additionally, one-dimensional pyrrolidinium perovskite was applied to passivate the perovskite film and improve the junction quality, which resulted in a carrier lifetime of 1.1 µs and an open circuit voltage of 0.865 V for our perovskite film and device with a bandgap of 1.28 eV. Our strategies enabled a power-conversion efficiency of 20.4% for low-bandgap perovskite solar cells under AM 1.5G illumination. More importantly, an encapsulated device can retain 92% of its initial efficiency after 450 h of continuous 1 sun illumination.

14 SOLAR ENERGY↗