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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Spinel Cu–Mn–Cr Oxide Nanoparticle-Pigmented Solar Selective Coatings Maintaining >94% Efficiency at 750 °C

High-temperature concentrating solar power (CSP) system is capable of harvesting and storing solar energy as heat towards cost-effective dispatchable solar electricity. Solar selective coating is a critical component to boost its efficiency by maximizing solar absorptance and minimizing thermal emittance losses. However, maintaining a high solar-thermal conversion efficiency >90% for long-term operation at ≥750 ºC remains a significant challenge. Herein, we report spray-coated spinel Cu-Mn-Cr oxide nanoparticle-pigmented solar selective coatings on Inconel tube sections maintaining ≥94% efficiency at 750 ºC and ≥92.5% at 800 ºC under 1000x solar concentration after 60 simulated day-night thermal cycles in air, each cycle comprising 12h at 750 ºC/800 ºC and 12h cooling to 25 ºC. The solar spectral selectivity is intrinsic to the band-to-band and d-d transitions of non-stoichiometric spinel Cu-Mn-Cr oxide nanoparticles. Furthermore, this feature offers a large fabrication tolerance in nanoparticle volume fraction and coating thickness, facilitating low-cost and scalable spray-coated high-efficiency solar selective absorbers for high-temperature CSP systems.

14 SOLAR ENERGY↗
DOE OSTI2023

Fine-Tuning of Pt Dispersion on Al 2 O 3 and Understanding the Nature of Active Pt Sites for Efficient CO and NH 3 Oxidation Reactions

Fine-tuning the dispersion of active metal species on widely used supports is a research hotspot in the catalysis community, which is vital for achieving a balance between the atomic utilization efficiency and the intrinsic activity of active sites. In this work, using bayerite Al(OH) 3 as support directly or after precalcination at 200 or 550 °C, Pt/Al 2 O 3 catalysts with distinct Pt dispersions from single atoms to clusters (ca. 2 nm) were prepared and evaluated for CO and NH 3 removal. Richer surface hydroxyl groups on AlO x (OH) y support were proved to better facilitate the dispersion of Pt. However, Pt/Al 2 O 3 with relatively lower Pt dispersion could exhibit better activity in CO/NH 3 oxidation reactions. Further reaction mechanism study revealed that the Pt sites on Pt/Al 2 O 3 with lower Pt dispersion could be activated to Pt 0 species much easier under the CO oxidation condition, on which a higher CO adsorption capacity and more efficient O 2 activation were achieved simultaneously. Compared to Pt single atoms, PtO x clusters could also better activate NH 3 into –NH 2 and –HNO species. The higher CO adsorption capacity and the more efficient NH 3 /O 2 activation ability on Pt/Al 2 O 3 with relatively lower Pt dispersion well explained its higher CO/NH 3 oxidation activity. This study emphasizes the importance of avoiding a singular pursuit of single-atom catalyst synthesis and instead focusing on achieving the most effective Pt species on Al 2 O 3 support for targeted reactions. Finally, this approach avoids unnecessary limitations and enables a more practical and efficient strategy for Pt catalyst fabrication in emission control applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Overcoming Barriers in Electrochemical Toluene Hydrogenation for Efficient Hydrogen Storage by Pt 3 Au Alloy Catalysts

Hydrogen storage and transportation are essential for the hydrogen economy, and liquid organic hydrogen carriers (LOHCs), such as a toluene/methylcyclohexane (TOL/MCH) system, offer significant advantages in terms of safety and efficiency. However, the electrochemical reduction of TOL to MCH (TER) faces challenges from competing with the hydrogen evolution reaction (HER) and catalyst instability. Here, in this study, Pt 3 Au is introduced as a highly effective catalyst for TER. Through density functional theory screening, we identified distinctive properties of Pt 3 Au, including enhanced binding to the TER intermediates and effective HER suppression. Experimental validation confirmed these computational predictions, with Pt 3 Au achieving the highest reported Faradaic efficiency (98%) in proton exchange membrane systems. Moreover, long-term testing demonstrated that Pt 3 Au maintained Faradaic efficiencies of >90% over 9 h, highlighting its robustness and operational stability. By integrating computational modeling and experimental evaluation, this work addresses key limitations in LOHC catalysis. Pt 3 Au establishes a benchmark for selective and stable TER performance, paving the way for advanced hydrogen storage technologies. These findings emphasize the critical role of rational catalyst design in overcoming the challenges associated with scalable and efficient hydrogen storage solutions.

LOHC↗
DOE OSTI2020

Polymeric Electron-Selective Contact for Crystalline Silicon Solar Cells with an Efficiency Exceeding 19%

Carrier-selective contacts have become a prominent path forward toward efficient crystalline silicon (c-Si) photovoltaics. Among the proposed contacting materials, organic materials may offer simplified and low-cost processing compared with typical vacuum deposition techniques. In this paper, branched polyethylenimine (b-PEI) is presented as an electron-transport layer (ETL) for c-Si solar cells. The incorporation of a b-PEI interlayer between c-Si(n) and Al leads to a low contact resistivity of 24 mΩ cm 2 . A silicon heterojunction solar cell integrated with b-PEI is demonstrated achieving a power conversion efficiency of 19.4%, which improves the benchmark efficiency of a c-Si solar cell with an organic ETL. This electron selectivity of b-PEI is attributed to its Lewis basicity, i.e., electron-donating ability, promoting favorable band bending at the c-Si surface for electron transport. Moreover, several other Lewis base polymers perform as efficient ETLs in organic/c-Si hybrid devices, indicating Lewis basicity could be a guideline for future organic ETL design.

14 SOLAR ENERGY↗
DOE OSTI2024

Resonant Multiple-Phonon Absorption Causes Efficient Anti-Stokes Photoluminescence in CsPbBr 3 Nanocrystals

Lead halide perovskite nanocrystals, such as CsPbBr 3 , exhibit efficient photoluminescence (PL) up-conversion, also referred to as anti-Stokes photoluminescence (ASPL). This is a phenomenon where irradiating nanocrystals up to 100 meV below gap results in higher energy band edge emission. Most surprising is that ASPL efficiencies approach unity and involve single-photon interactions with multiple phonons. This is unexpected given the statistically disfavored nature of multiple-phonon absorption. Here, in this study, we report and rationalize near-unity anti-Stokes photoluminescence efficiencies in CsPbBr 3 nanocrystals and attribute them to resonant multiple-phonon absorption by polarons. The theory explains paradoxically large efficiencies for intrinsically disfavored, multiple-phonon-assisted ASPL in nanocrystals. Moreover, the developed microscopic mechanism has immediate and important implications for applications of ASPL toward condensed phase optical refrigeration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Photonic Crystal Waveguides for >90% Light Trapping Efficiency in Luminescent Solar Concentrators

Luminescent solar concentrators are currently limited in their potential concentration factor and solar conversion efficiency by the inherent escape cone losses present in conventional planar dielectric waveguides. Here, we demonstrate that photonic crystal slab waveguides tailored for luminescent solar concentrator applications can exhibit >90% light trapping efficiency. This is achieved by use of quantum dot luminophores embedded within the waveguide that absorb light at photon energies corresponding to photonic crystal leaky modes that couple to incoming sunlight. The luminophores then emit at lower photon energies into photonic crystal bound modes that enable highly efficient light trapping in slab waveguides of wavelength-scale thickness. Photonic crystal waveguides thus nearly eliminate escape cone losses, and overcome the performance limitations of previously proposed wavelength-selective dielectric multilayer filters. We describe designs for hole-array and rod-array photonic crystals comprised of hydrogenated amorphous silicon carbide using CdSe/CdS quantum dots. Our analysis suggests that photonic crystal waveguide luminescent solar concentrators using these materials these can achieve light trapping efficiency above 92% and a concentration factor as high as 100.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High-Efficiency Conversion of Ionic Liquid-Pretreated Woody Biomass to Ethanol at the Pilot Scale

We report that with a diverse and widely distributed global resource base, woody biomass is a compelling organic feedstock for conversion to renewable liquid fuels. In California, woody biomass comprises the largest fraction of underutilized biomass available for biofuel production, but conversion to fuels is challenged both by recalcitrance to deconstruction and by toxicity toward downstream saccharification and fermentation due to organic acids and phenolic compounds generated during pretreatment. In this study, we optimize pretreatment and scale-up of an integrated one-pot process for deconstruction of California woody biomass using the ionic liquid (IL) cholinium lysinate [Ch][Lys] as a pretreatment solvent. By evaluating the impact of solid loading, solid removal, yeast acclimatization, fermentation temperature, fermentation pH, and nutrient supplementation on final ethanol yields and titers, we achieve nearly full conversion of both glucose and xylose to ethanol with commercial C5-utilizing Saccharomyces cerevisiae. We then demonstrate process scalability in 680 L pilot-scale fermentation, achieving >80% deconstruction efficiency, >90% fermentation efficiency, 27.7 g/L ethanol titer, and >80% ethanol distillation efficiency from the IL-containing hydrolysate post fermentation. This fully integrated process requires no intermediate separations and no intermediate detoxification of the hydrolysate. Using an integrated biorefinery model, current performance results in a minimum ethanol selling price of $\$$8.8/gge. Reducing enzyme loading along with other minor process improvements can reduce the ethanol selling price to $\$$3/gge. This study is the largest scale demonstration of IL pretreatment and biofuel conversion known to date, and the overall biomass-to-ethanol efficiencies are the highest reported to date for any IL-based biomass-to-biofuel conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Nickel–Platinum Nanoparticles as Peroxidase Mimics with a Record High Catalytic Efficiency

While nanoscale mimics of peroxidase have been extensively developed over the past decade or so, their catalytic efficiency as a key parameter has not been substantially improved in recent years. Herein, we report a class of highly efficient peroxidase mimic–nickel–platinum nanoparticles (Ni–Pt NPs) that consist of nickel-rich cores and platinum-rich shells. The Ni–Pt NPs exhibit a record high catalytic efficiency with a catalytic constant (K cat ) as high as 4.5 × 10 7 s –1 , which is ~46- and 10 4 -fold greater than the K cat values of conventional Pt nanoparticles and natural peroxidases, respectively. Density functional theory calculations reveal that the unique surface structure of Ni–Pt NPs weakens the adsorption of key intermediates during catalysis, which boosts the catalytic efficiency. Furthermore, the Ni–Pt NPs were applied to an immunoassay of a carcinoembryonic antigen that achieved an ultralow detection limit of 1.1 pg/mL, hundreds of times lower than that of the conventional enzyme-based assay.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Mechanical-Bond-Enabled Highly Efficient Charge Separation in a Light-Harvesting Hetero[2]Catenane

Photodriven charge separation is a key process for converting solar energy into chemical energy. However, it remains a challenge to develop artificial light-harvesting materials that can simultaneously achieve ultrafast charge separation and a long-lived charge-separated state with low energy loss. In contrast to conventional strategies based on covalent or noncovalent interactions, we employed a mechanical bond to forcibly assemble two strongly electron-deficient cationic chromophores (TTzBo x4+ and PDI-C 2+ ), which have very similar reduction potentials and exhibit limited noncovalent interactions, into a hetero[2]catenane (TTzPCat 6+ ). This design provides efficient π electronic couplings, enabling ultrafast charge separation (<2.3 ps) even with a low driving force (|ΔG CS | ≈ 160 meV). Furthermore, the adaptive molecular conformation of TTzPCat 6+ , in combination with the Marcus inverted region effect, successfully prolongs the charge-separated state lifetime (k CS /k CR > 1000), surpassing the conventional trade-off between driving force and charge separation efficiency in heterogeneous donor–acceptor systems. The photocatalytic system based on TTzPCat 6+ exhibits an over 2-fold enhancement in selective oxidation of aryl sulfides under mild conditions, demonstrating the potential of mechanical bonding for preparing photocatalytic materials. This investigation not only highlights a strategy for achieving highly efficient charge separation with low energy loss but also offers fresh insights into developing efficient solar energy conversion systems.

Charge transfer↗
DOE OSTI2021

Flexible and efficient perovskite quantum dot solar cells via hybrid interfacial architecture

All-inorganic CsPbI 3 perovskite quantum dots have received substantial research interest for photovoltaic applications because of higher efficiency compared to solar cells using other quantum dots materials and the various exciting properties that perovskites have to offer. These quantum dot devices also exhibit good mechanical stability amongst various thin-film photovoltaic technologies. We demonstrate higher mechanical endurance of quantum dot films compared to bulk thin film and highlight the importance of further research on high-performance and flexible optoelectronic devices using nanoscale grains as an advantage. Specifically, we develop a hybrid interfacial architecture consisting of CsPbI 3 quantum dot/PCBM heterojunction, enabling an energy cascade for efficient charge transfer and mechanical adhesion. The champion CsPbI3 quantum dot solar cell has an efficiency of 15.1% (stabilized power output of 14.61%), which is among the highest report to date. Building on this strategy, we further demonstrate a highest efficiency of 12.3% in flexible quantum dot photovoltaics.

14 SOLAR ENERGY↗
DOE OSTI2023

Auxiliary sequential deposition enables 19%-efficiency organic solar cells processed from halogen-free solvents

High-efficiency organic solar cells are often achieved using toxic halogenated solvents and additives that are constrained in organic solar cells industry. Therefore, it is important to develop materials or processing methods that enabled highly efficient organic solar cells processed by halogen free solvents. In this paper, we report an innovative processing method named auxiliary sequential deposition that enables 19%-efficiency organic solar cells processed by halogen free solvents. Our auxiliary sequential deposition method is different from the conventional blend casting or sequential deposition methods in that it involves an additional casting of dithieno[3,2-b:2’,3’-d]thiophene between the sequential depositions of the donor (D18-Cl) and acceptor (L8-BO) layers. The auxiliary sequential deposition method enables dramatic performance enhancement from 15% to over 18% compared to the blend casting and sequential deposition methods. Furthermore, by incorporating a branched-chain-engineered acceptor called L8-BO-X, device performance can be boosted to over 19% due to increased intermolecular packing, representing top-tier values for green-solvent processed organic solar cells. Comprehensive morphological and time-resolved characterizations reveal that the superior blend morphology achieved through the auxiliary sequential deposition method promotes charge generation while simultaneously suppressing charge recombination. This research underscores the potential of the auxiliary sequential deposition method for fabricating highly efficient organic solar cells using environmentally friendly solvents.

14 SOLAR ENERGY↗
DOE OSTI2024

Iodide manipulation using zinc additives for efficient perovskite solar minimodules

Abstract Interstitial iodides are the most critical type of defects in perovskite solar cells that limits efficiency and stability. They can be generated during solution, film, and device processing, further accelerating degradation. Herein, we find that introducing a small amount of a zinc salt- zinc trifluoromethane sulfonate (Zn(OOSCF 3 ) 2 ) in the perovskite solution can control the iodide defects in resultant perovskites ink and films. CF 3 SOO ̶ vigorously suppresses molecular iodine formation in the perovskites by reducing it to iodide. At the same time, zinc cations can precipitate excess iodide by forming a Zn-Amine complex so that the iodide interstitials in the resultant perovskite films can be suppressed. The perovskite films using these additives show improved photoluminescence quantum efficiency and reduce deep trap density, despite zinc cations reducing the perovskite grain size and iodide interstitials. The zinc additives facilitate the formation of more uniform perovskite films on large-area substrates (78-108 cm 2 ) in the blade-coating process. Fabricated minimodules show power conversion efficiencies of 19.60% and 19.21% with aperture areas of 84 and 108 cm 2 , respectively, as certified by National Renewable Energy Laboratory (NREL), the highest efficiency certified for minimodules of these sizes.

14 SOLAR ENERGY↗
DOE OSTI2024

Learning protocols for the fast and efficient control of active matter

Exact analytic calculation shows that optimal control protocols for passive molecular systems often involve rapid variations and discontinuities. However, similar analytic baselines are not generally available for active-matter systems, because it is more difficult to treat active systems exactly. Here we use machine learning to derive efficient control protocols for active-matter systems, and find that they are characterized by sharp features similar to those seen in passive systems. We show that it is possible to learn protocols that effect fast and efficient state-to-state transformations in simulation models of active particles by encoding the protocol in the form of a neural network. We use evolutionary methods to identify protocols that take active particles from one steady state to another, as quickly as possible or with as little energy expended as possible. Our results show that protocols identified by a flexible neural-network ansatz, which allows the optimization of multiple control parameters and the emergence of sharp features, are more efficient than protocols derived recently by constrained analytical methods. Our learning scheme is straightforward to use in experiment, suggesting a way of designing protocols for the efficient manipulation of active matter in the laboratory.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Enhancing the Faradaic efficiency of solid oxide electrolysis cells: progress and perspective

Abstract To reduce global warming, many countries are shifting to sustainable energy production systems. Solid oxide electrolysis cells (SOECs) are being considered due to their high hydrogen generation efficiency. However, low faradaic efficiency in scaling SOEC technology affects costs and limits large-scale adoption of hydrogen as fuel. This review covers SOECs’ critical aspects: current state-of-the-art anode, cathode, and electrolyte materials, operational and materials parameters affecting faradaic efficiency, and computational modeling techniques to resolve bottlenecks affecting SOEC faradaic efficiency.

Gaikwad, Prashik S. (ORCID:0000000179510115)↗
DOE OSTI2025

An unsupervised machine learning based approach to identify efficient spin-orbit torque materials

Materials with large spin–orbit torque (SOT) hold considerable significance for many spintronic applications because of their potential for energy-efficient magnetization switching. Unfortunately, most of the existing materials exhibit an SOT efficiency factor that is much less than unity, requiring a large current for magnetization switching. The search for new materials that can exhibit an SOT efficiency much greater than unity is a topic of active research, and only a few such materials have been identified using conventional approaches. In this paper, we present a machine learning-based approach using a word embedding model that can identify new results by deciphering non-trivial correlations among various items in a specialized scientific text corpus. We show that such a model can be used to identify materials likely to exhibit high SOT and rank them according to their expected SOT strengths. The model captured the essential spintronics knowledge embedded in scientific abstracts within various materials science, physics, and engineering journals and identified 97 new materials to exhibit high SOT. Among them, 16 candidate materials are expected to exhibit an SOT efficiency greater than unity, and one of them has recently been confirmed with experiments with quantitative agreement with the model prediction.

Sayed, Shehrin↗
DOE OSTI2026

A photochargeable semiconductor for highly efficient dehydrogenative coupling of amines

The development of materials with high photocatalytic efficiency is essential for sustainable chemical transformations. Here, in this work, we introduce photochargeable zinc indium sulfide nanocrystals with notable charge storage capacity, enabling highly efficient photocatalytic dehydrogenative coupling of amines. Combined with a nickel cocatalyst, the nanocrystals deliver diamines and hydrogen at rates exceeding 120 mmol per gram of photocatalyst per hour, with > 95% selectivity and an apparent quantum efficiency of up to 39.4% under ambient conditions. The system exhibits excellent scalability, demonstrated by a reaction on a 20-g scale, and broad versatility in promoting amino acid ester coupling and polymerization reactions with concurrent hydrogen evolution. Mechanistic studies attribute the photocharging capability of zinc indium sulfide nanocrystals to in situ-generated trap states such as sulfur vacancies, which extend hydrogen production into the dark catalytic cycle and enhance the overall charge utilization efficiency. These findings position photochargeable semiconductors as promising platforms for a wide range of photocatalytic applications.

nanoscale devices↗
DOE OSTI2020

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↗
DOE OSTI2022

Carrier control in Sn–Pb perovskites via 2D cation engineering for all-perovskite tandem solar cells with improved efficiency and stability

All-perovskite tandem solar cells are promising for achieving photovoltaics with power conversion efficiencies above the detailed balance limit of single-junction cells, while retaining the low cost, light weight and other advantages associated with metal halide perovskite photovoltaics. However, the efficiency and stability of all-perovskite tandem cells are limited by the Sn-Pb-based narrow-bandgap perovskite cells. Here we show that the formation of quasi-two-dimensional (quasi-2D) structure (PEA) 2 GAPb 2 I 7 from additives based on mixed bulky organic cations phenethylammonium (PEA+) and guanidinium (GA+) provides critical defect control to substantially improve the structural and optoelectronic properties of the narrow-bandgap (1.25 eV) Sn-Pb perovskite thin films. Additionally, this 2D additive engineering results in Sn-Pb-based absorbers with low dark carrier density (~1.3 x 10 14 cm -3 ), long bulk carrier lifetime (~9.2 us) and low surface recombination velocity (~1.4 cm s -1 ), leading to 22.1%-efficient single-junction Sn-Pb perovskite cells and 25.5%-efficient all-perovskite two-terminal tandems with high photovoltage and long operational stability.

14 SOLAR ENERGY↗