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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 451 records · Page 25

Heterogeneous Nucleating Agent for High‐Boiling‐Point Nonhalogenated Solvent‐Processed Organic Solar Cells and Modules

Abstract High‐boiling‐point nonhalogenated solvents are superior solvents to produce large‐area organic solar cells (OSCs) in industry because of their wide processing window and low toxicity; while, these solvents with slow evaporation kinetics will lead excessive aggregation of state‐of‐the‐art small molecule acceptors (e.g. L8‐BO), delivering serious efficiency losses. Here, a heterogeneous nucleating agent strategy is developed by grafting oligo (ethylene glycol) side‐chains on L8‐BO (BTO‐BO). The formation energy of the obtained BTO‐BO; while, changing from liquid in a solvent to a crystalline phase, is lower than that of L8‐BO irrespective of the solvent type. When BTO‐BO is added as the third component into the active layer (e.g. PM6:L8‐BO), it easily assembles to form numerous seed crystals, which serve as nucleation sites to trigger heterogeneous nucleation and increase nucleation density of L8‐BO through strong hydrogen bonding interactions even in high‐boiling‐point nonhalogenated solvents. Therefore, it can effectively suppress excessive aggregation during growth, achieving ideal phase‐separation active layer with small domain sizes and high crystallinity. The resultant toluene‐processed OSCs exhibit a record power conversion efficiency (PCE) of 19.42% (certificated 19.12%) with excellent operational stability. The strategy also has superior advantages in large‐scale devices, showing a 15.03‐cm 2 module with a record PCE of 16.35% (certificated 15.97%).

Chemistry↗

Effects of potassium treatment on SnO 2 electron transport layers for improvements of perovskite solar cells

SnO 2 has been studied intensively as an electron transport layer (ETL) for highly efficient metal halide perovskite solar cells. However, SnO 2 ETL frequently exhibits defect-related issues associated with the bulk SnO 2 and the perovskite/SnO 2 interface, and to passivate the defect states potassium ion has been used. In order to investigate the passivation effect of potassium ion, we carried out KCl treatment on the solution-processed SnO 2 ETL. It was found that KCl-treatment shifted up conduction band maximum and Fermi energy of SnO 2 , and reduced the band gap of perovskite absorber by K + diffusion, which resulted in a better conduction band alignment at perovskite/SnO 2 . Admittance spectroscopy revealed that diffused K + ions can passivate defects of the perovskite absorber layer. With the improvement of band alignment and defect passivation via the KCl treatment, the J-V hysteresis was almost eliminated and power conversion efficiency was much enhanced with improved open-circuit voltage and fill factor.

14 SOLAR ENERGY↗

Doping in Efficient Polycrystalline CdSeTe Solar Cells via AsCl 3 Vapor Annealing

Doping in cadmium telluride (CdTe) thin-film solar cells is a critical step in producing highly efficient CdTe solar modules. To date, copper (Cu) ex-situ diffusion doping and group V in situ doping (such as arsenic, As) have been effectively used in manufacturing CdTe solar modules. However, Cu doping is prone to rapid degradation, whereas the low activation ratio of the dopants constrains group V in situ doping. Recently, ex-situ group V doping has been developed, showing an improved doping activation ratio through a solution process. Here, in this study, we developed a vapor-based AsCl 3 doping method for diffusion doping of polycrystalline CdSeTe devices. AsCl 3 vapor annealing can promote the diffusion of As into the bulk CdSeTe through a surface chemical reaction between CdTe and AsCl 3 . This approach has led to a long carrier lifetime of over 72 ns, V oc of 850 mV, and power conversion efficiency of ~18% with Au metal electrodes. The vapor-based ex situ group V doping approach offers an effective means to perform group V diffusion doping into the CdSeTe device.

14 SOLAR ENERGY↗

Nonfullerene Acceptor Featuring Unique Self‐Regulation Effect for Organic Solar Cells with 19 % Efficiency

Abstract The blend nanomorphology of electron‐donor (D) and ‐acceptor (A) materials is of vital importance to achieving highly efficient organic solar cells. Exogenous additives especially aromatic additives are always needed to further optimize the nanomorphology of blend films, which is hardly compatible with industrial manufacture. Herein, we proposed a unique approach to meticulously modulate the aggregation behavior of NFAs in both crystal and thin film nanomorphology via self‐regulation effect. Nonfullerene acceptor Z9 was designed and synthesized by tethering phenyl groups on the inner side chains of the Y6 backbone. Compared with Y6, the tethered phenyl groups participated in the molecular aggregation via the π–π stacking of phenyl‐phenyl and phenyl‐2‐(5,6‐difluoro‐3‐oxo‐2,3‐dihydro‐1H‐inden‐1‐ylidene)malononitrile (IC‐2F) groups, which induced 3D charge transport with phenyl‐mediated super‐exchange electron coupling. Moreover, ordered molecular packing with suitable phase separation was observed in Z9‐based blend films. High power conversion efficiencies (PCEs) of 19.0 % (certified PCE of 18.6 %) for Z9‐based devices were achieved without additives, indicating the great potential of the self‐regulation strategy in NFA design.

Chemistry↗

Benzo[d]thiazole Based Wide Bandgap Donor Polymers Enable 19.54% Efficiency Organic Solar Cells Along with Desirable Batch-to-Batch Reproducibility and General Applicability

The limited selection pool of high-performance wide bandgap (WBG) polymer donors is a bottleneck problem of the nonfullerene acceptor (NFA) based organic solar cells (OSCs) that impedes the further improvement of their photovoltaic performances. In this work, a series of new WBG polymers, namely PH-BTz, PS-BTz, PF-BTz, and PCl-BTz, are developed by using the bicyclic difluoro-benzo[d]thiazole (BTz) as the acceptor block and benzo[1,2-b:4,5-b']dithiophene (BDT) derivatives as the donor units. By introducing S, F, and Cl atoms to the alkylthienyl sidechains on BDT, the resulting polymers exhibit lowered energy levels and enhanced aggregation properties. The fluorinated PBTz-F not only exhibits a low-lying HOMO level, but also has stronger face-on packing order and results in more uniform fibril-like interpenetrating networks in the related PF-BTz:L8-BO blend. A high-power conversion efficiency (PCE) of 18.57% is achieved. Moreover, PBTz-F also exhibits a good batch-to-batch reproducibility and general applicability. In addition, ternary blend OSCs based on the host PBTz-F:L8-BO blend and PM6 guest donor exhibits a further enhanced PCE of 19.54%, which is among the highest values of OSCs.

36 MATERIALS SCIENCE↗

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↗

Synergy of Liquid-Crystalline Small-Molecule and Polymeric Donors Delivers Uncommon Morphology Evolution and 16.6% Efficiency Organic Photovoltaics

Achieving an ideal morphology is an imperative avenue for enhancing key parameters toward high-performing organic solar cells (OSCs). Among a myriad of morphological-control methods, the strategy of incorporating a third component with structural similarity and crystallinity difference to construct ternary OSCs has emerged as an effective approach to regulate morphology. A nematic liquid-crystalline benzodithiophene terthiophene rhodamine (BTR) molecule, which possesses the same alkylthio-thienyl-substituted benzo moiety but obviously stronger crystallinity compared to classical medium-bandgap polymeric donor PM6, is employed as a third component to construct ternary OSCs based on a PM6:BTR:Y6 system. The doping of BTR (5 wt%) is found to be enough to improve the OSC morphology—significantly enhancing the crystallinity of the photoactive layer while slightly reducing the donor/acceptor phase separation scale simultaneously. Rarely is such a morphology evolution reported. It positively affects the electronic properties of the device—prolongs the carrier lifetime, shortens the photocurrent decay time, facilitates exciton dissociation, charge transport, and collection, and ultimately boosts the power conversion efficiency from 15.7% to 16.6%. This result demonstrates that the successful synergy of liquid-crystalline small-molecule and polymeric donors delicately adjusts the active-layer morphology and refines device performance, which brings vibrancy to the OSC research field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improving Miscibility of Polymer Donor and Polymer Acceptor by Reducing Chain Entanglement for Realizing 18.64 % Efficiency All Polymer Solar Cells

All-polymer solar cells have experienced rapid development in recent years by the emergence of polymerized small molecular acceptors (PSMAs). However, the strong chain entanglements of polymer donors (P D s) and polymer acceptors (P A s) decrease the miscibility of the resulting polymer mixtures, making it challenging to optimize the blend morphology. Herein, we designed three P A s, namely PBTPICm-BDD, PBTPICγ-BDD and PBTPICF-BDD, by smartly using a BDD unit as the polymerized unit to copolymerize with different Y-typed non-fullerene small molecular acceptors (NF-SMAs), thus achieving a certain degree of distortion and giving the polymer system enough internal space to reduce the entanglements of the polymer chains. Such effects increase the chances of the P D being interspersed into the acceptor material, which improve the solubility between the P D and P A . The PBTPICγ-BDD and PBTPICF-BDD displayed better miscibility with PBQx-TCl, leading to a well optimized morphology. As a result, high power conversion efficiencies (PCEs) of 17.50 % and 17.17 % were achieved for PBQx-TCl : PBTPICγ-BDD and PBQx-TCl : PBTPICF-BDD devices, respectively. In conclusion, with the addition of PYFT-o as the third component into PBQx-TCl : PBTPICγ-BDD blend to further extend the absorption spectral coverage and finely tune microstructures of the blend morphology, a remarkable PCE of 18.64 % was realized finally.

36 MATERIALS SCIENCE↗

19.32% Efficiency Polymer Solar Cells Enabled by Fine-Tuning Stacking Modes of Y-Type Molecule Acceptors: Synergistic Bromine and Fluorine Substitution of the End Groups

Here, the success of Y6-type nonfullerene small molecule acceptors (NF-SMAs) in polymer solar cells (PSCs) can be attributed to their unique honeycomb stacking style, which leads to favorable thin-film morphologies. The intermolecular interactions related to the crystallization tendency of these NF-SMAs is closely governed by their electron accepting end groups. For example, the high performance Y6 derivative L8-BO (BTP-4F) presents three types of stacking modes in contrast to two stacking modes of Y6. Hence, it is ultimately interesting to obtain more insight on the packing properties and the preferences influenced by chemical modifications such as end group engineering. This work designs and synthesizes asymmetric and symmetric L8-BO derivatives with brominated end groups and explores the stacking preferences in various modes. The asymmetric BTP-3FBr displays an optimized crystallization tendency and thin film morphology, leading to a decent power conversion efficiency (PCE) of 18.34% in binary devices and a top PCE of 19.32% in ternary devices containing 15 wt% IDIC as the second acceptor.

36 MATERIALS SCIENCE↗

Carboxyl-functionalized perovskite enables ALD growth of a compact and uniform ion migration barrier

Mixed-halide wide-band-gap perovskites are critical components of highly efficient tandem cells, but their operating stability is limited by halide migration. Metal oxides deposited via atomic layer deposition (ALD) have been shown to block halide migration; however, previously pursued methods result in inhomogeneous nucleation and growth. We hypothesized that functionalizing the perovskite surface with ALD-active carboxyl groups could promote nucleation and enable higher-temperature metal oxide growth. We find that 5-ammonium valeric acid iodide (5-AVAI) facilitates the formation of a compact and uniform aluminum oxide (Al 2 O 3 ) layer and allows growth at 100°C compared with the previous limit of 75°C. We demonstrate that halide migration into the C 60 electron transport layer is reduced by a factor of 10 compared with the reference case. Finally, Al 2 O 3 -capped perovskite solar cells with a band gap of 1.78 eV retain 90% of their initial power conversion efficiency after 1,000 h of continuous operation under 1-sun illumination at 55°C.

Al2O3↗

Identification of Recombination Losses in CdSe/CdTe Solar Cells from Spectroscopic and Microscopic Time-Resolved Photoluminescence

Due to the lowest-cost and best reliability, CdTe solar cells are the leading thin-film photovoltaic technology. Increasing open-circuit voltage by reducing recombination represents the most promising path toward further improvements. Analysis is needed to identify limitations that cause efficiency losses. To achieve this goal for Cu-doped CdSe/CdTe solar cells, time-resolved spectroscopy and microscopy are developed and applied. Recombination lifetimes and radiative efficiency identify that defect-mediated recombination is the dominant voltage loss mechanism. When carrier lifetimes are averaged over many crystalline grains, they increase from 180 to 430 ns when Al2O3 is applied to the back contact. The quasi-Fermi-level splitting correspondingly increases from 880–905 to 906–931 mV, indicating a pathway to overcome the long-standing 900 mV voltage limitation. However, the dominant recombination losses are attributed to the absorber bulk. From microscopic carrier lifetime measurements, it is identified that space charge fields due to charged grain boundaries (GBs) lead to recombination in the CdTe absorber bulk. At high injection, GB space charge fields are screened, but that occurs above 1 Sun excitation conditions. Alloying with selenium in the near-interface CdSeTe absorber region reduces GB losses and is identified as one of the factors leading to high radiative and power conversion efficiency.

14 SOLAR ENERGY↗

Saddle-Shaped Third Component with Out-of-Plane Electrostatic Dipole for Realizing High-Performance Photovoltaic Donor Terpolymers

Terpolymer fabrication is an effective methodology for molecular engineering and generating high-performance organic photovoltaic materials to construct highly efficient polymer solar cells. Modification of the polymer PM6 by incorporating a third component resulting in the formation of a ternary copolymer is reported to outperform PM6 in achieving enhanced device performances. However, one of the major challenges in constructing high-performance terpolymers is to counter the molecular disorder caused by the backbone entropy induced by the third moiety. Here, in this work, double B←N bridged bipyridine (BNBP) is used as the third component, which possesses a strong out-of-plane electrostatic dipole owing to the saddle-shaped B←N fused ring structure. The out-of-plane dipole moment introduced in the modified PM6 terpolymer can be used as a means for tuning and optimizing the nanostructures of the blended films. The prepared PM6-BNBP-4 blend polymer with 4% of the benzodithiophene dione monomers replaced by BNBP results in excellent power conversion efficiency of 19.13%. This work demonstrates that the out-of-plane electrostatic dipole moment in saddle-shaped molecules is valuable for achieving high-performance organic photovoltaic donor materials.

36 MATERIALS SCIENCE↗

NASA Utilization of Space Nuclear Systems for Robotic and Human Exploration Missions: Response to EO 13972: Promoting Small Nuclear Reactors for National Defense and Space Exploration

Space Nuclear Systems (SNS) technology development offers a wide range of capabilities to support NASA’s current and future missions. Executive Order (EO) 13972, “Promoting Small Modular Reactors for National Defense and Space Exploration” [1], issued 5 January 2021, directs NASA to define requirements for NASA utilization of nuclear energy systems for human and robotic exploration missions through 2040 and analyze the costs and benefits of such requirements.” Although it is premature to define requirements and cost for future exploration missions that have not yet been formulated, this report describes planned objectives and missions by 2040 that are enabled or enhanced by nuclear systems while taking into account a number of unique considerations for nuclear energy in the space environment. Nuclear energy systems are enabling for space missions and critical capabilities where conventional forms of energy production are impractical or impossible due to mass constraints, mission duration, or distance from the Sun. Space nuclear technologies available or in development for use by 2040 utilize radioisotope decay or nuclear fission and fall into three categories: heat, power, and propulsion. Current applications utilize radioisotope power systems that provide consistent and reliable performance in the sub-kilowatt power range. More advanced SNS can enable new mission objectives where high energy density solutions are critical, or where access to solar solutions is prohibitive. Higher power radioisotope and fission systems are under development within NASA for a wide variety of human exploration and science mission applications. Planned missions designed to use radioisotope systems include Dragonfly, a rotorcraft that will explore the surface of Titan, and Persephone, a mission concept for a Pluto orbiter. Nuclear fission systems have the key advantage of providing significantly higher power, lower mass solutions from tens to even thousands of kilowatts. Fission power is enabling to a sustained human presence on the Moon and developing a robust lunar economy. Fission propulsion is enabling for missions within and beyond cis-lunar space. This report examines NASA-envisioned mission applications and associated performance needs for SNS over the next twenty years leading to 2040 along with the unique technical considerations posed by space nuclear technology development. This includes engineering and operational logistics for ground handling, thermal management, survival of the space environment, operational safety, power requirements, and service longevity. Safety to the public, the NASA work force, and agency assets remains a top priority for NASA and particular attention is given to this aspect in the design, hardware assembly, ground operation, launch, and mission operation of an SNS. NASA relies on the Department of Energy as nuclear authority and its legacy of rigorous safety procedures as standards for ground development, test, transportation, and launch site operation. The principal concern is preventing unintended radiological release to the public or environment. Radioisotope system experience has established processes, including ground operation, transportation, and launch, that are considered directly applicable to emerging fission systems; however, fission systems have unique design needs that impact the safety and performance requirements. High efficiency power conversion from both fission and radioisotope systems requires high operating temperatures necessitating both passive and active thermal management to maintain safe and nominal operating conditions. Effective cooling and waste heat rejection have special considerations for space applications, whether in zero-g or reduced gravity. Fluid and heat transfer within the reactor system is not anticipated to be impacted by reduced or zero-g environments. Cryogenic working fluids and propellant supplies utilized in some space nuclear applications will need low mass, high capacity cryocoolers to meet the long-term storage and near zero-boiloff needs. Integrated, high power density SNS capable of being packaged in a single vehicle is a key consideration for NASA. Due to concerns for complexity and reliability, in space reactor assembly and reactor refueling are not current design considerations. Expanding into a new era for space exploration depends on mass-efficient, high-energy solutions to power deep-space vehicles, operate in harsh environments, and increase mission flexibility. NASA nuclear technology investments are targeting power for surface operations and propulsion for fast-transit, deep-space missions, all with the ability to reliably operate without the need for repair or refueling. NASA’s goals, enabled by nuclear technologies, provide for exciting advances in scientific objectives and human exploration, ushering in a new space age that enables a human presence on bodies beyond our Earth.

nuclear↗

Templated Growth and Passivation of Vertically Oriented Antimony Selenide Thin Films for High-Efficiency Solar Cells in Substrate Configuration

Antimony selenide (Sb 2 Se 3 ) is a promising low-cost photovoltaic material with a 1D crystal structure. The grain orientation and defect passivation play a critical role in determining the performance of polycrystalline Sb 2 Se 3 thin-film solar cells. In this work, a seed layer is introduced on a molybdenum (Mo) substrate to template the growth of a vertically oriented, columnar Sb 2 Se 3 absorber layer by closed space sublimation. By controlling the grain orientation and compactness of the Sb 2 Se 3 seeds, obtain high-quality Sb 2 Se 3 absorber layers with passive Sb 2 Se 3 /Mo interfaces is obtained, which in turn improve the transport of photoexcited charge carriers through the absorber layer and its interfaces. Post-deposition annealing of absorber layers in ambient air is further utilized to passivate the defects in Sb 2 Se 3 and enhance the quality of the front heterojunction. As a result of systematic processing optimization, Sb 2 Se 3 planar heterojunction solar cells are fabricated in substrate configuration with a champion power conversion efficiency of 8.5%.

14 SOLAR ENERGY↗

Iodine Modulates the MACl‐Assisted Growth of FAPbI 3 for High Efficiency Perovskite Solar Cells

The preferential growth of α-phase formamidinium perovskite (α-FAPbI 3 ) at low temperatures can be achieved with the incorporation of chloride-based additives, with methylammonium chloride (MACl) being the most common example. However, compared to other less-volatile chloride additives, MACl only remains in the growing perovskite film for a short time before evaporating during annealing, primarily influencing the early stages of film formation. In addition, evaporation of MACl as methylamine (MA 0 ) and HCl can introduce a side reaction between MA 0 and formamidinium (FA), undermining the compositional purity and phase stability of α-FAPbI 3 . In this study, it is demonstrated that addition of iodine (I 2 ) into the FAPbI 3 precursor solution containing MACl suppresses the MA-FA side reaction during annealing. Additionally, MACl evaporation is delayed owing to strong interaction with triiodide. The added I 2 facilitates spontaneous growth of α-FAPbI 3 prior to annealing, with an improved bottom morphology due to the formation of fewer byproducts. Perovskite solar cells derived from an I 2 -incorporated solution deliver a champion power conversion efficiency of 25.2% that is attributed to suppressed non-radiative recombination.

14 SOLAR ENERGY↗

Super Flexible Transparent Conducting Oxide-Free Organic–Inorganic Hybrid Perovskite Solar Cells with 19.01% Efficiency (Active Area=1 cm 2 )

Highly efficient organic-inorganic hybrid perovskite solar cells (OIHP-SCs) are often fabricated on a transparent conducting oxide (TCO) substrate such as indium tin oxide (ITO). However, the presence of TCOs is disadvantageous to the development of flexible OIHP-SCs due to the brittle nature of ITO which is easily breakable during bending. Herein, a flexible TCO-free OIHP-SC is demonstrated by using lithium bis(trifluoromethane)sulfonimide (Li-TFSI) as a codopant for the single-layer graphene transparent conducting electrode and poly(triarylamine) hole-transporting material (HTM) on a flexible polydimethylsiloxane substrate. The optical and electrical properties of the Li-TFSI-doped graphene substrate are measured by controlling the doping amount and the best conditions for charge extraction are established at a doping concentration of 20 mm Li-TFSI, thus optimizing the device photovoltaic performance. As a result, a highest power conversion efficiency of 19.01% is demonstrated by the flexible TCO-free OIHP-SC devices with an active area of 1 cm 2 . In addition, the flexible TCO-free OIHP-SCs exhibit good bending stability after 5000 bending cycles at radii of 6, 4, and 2 mm and excellent light soaking stability under 1 Sun light intensity over 1000 h as opposed to the poor stability when using poly(3,4-ethylenedioxythiophene) polystyrene sulfonate as the HTM.

14 SOLAR ENERGY↗

Inorganic cesium lead mixed halide based perovskite solar materials modified with functional silver iodide

Inorganic CsPbIBr 2 perovskites have recently attracted enormous attention as a viable alternative material for optoelectronic applications due to their higher efficiency, thermal stability, suitable bandgap, and proper optical absorption. However, the CsPbIBr 2 perovskite films fabricated using a one-step deposition technique is usually comprised of small grain size with a large number of grain boundaries and compositional defects. In this work, silver iodide (AgI) will be incorporated as an additive into the CsPbIBr 2 perovskite precursor solution to prepare the unique perovskite CsI(PbBr 2 ) 1-x (AgI) x . The AgI additive in the precursor solution works as a nucleation promoter which will help the perovskite to grow and merge into a continuous film with reduced defects. With detailed characterizations, we found that incorporating AgI additive resulted in a uniform perovskite film with fewer grain boundaries, increased grain size, crystallinity, optical absorption while decreasing carrier recombination and trap density. Using the AgI in an optimum amount, we fabricated CsPbIBr 2 perovskite solar cells (PSCs) with a simple structure and achieved a power conversion efficiency (PCE) of 7.2% with a reduced hysteresis index. This work offers an alternative approach towards preparing high-quality CsPbIBr 2 perovskite films for solar cells with higher stability and other optoelectronic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗