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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

High-voltage monocrystalline Si photovoltaic minimodules based on poly -Si/SiO x passivating contacts for high-power laser power conversion

By using photovoltaic cells under high-intensity laser illumination, much higher photoconversion efficiencies are obtained than under the solar spectrum. Here we demonstrate a monocrystalline Si based minimodule to convert laser light into electricity using edge-illuminated Si "minicells" based on polysilicon on silicon oxide passivating contacts. Ten fully metallized devices were stacked in series and illuminated from the edge, creating a high-voltage, low-current minimodule that mitigates resistive and Auger-Meitner losses. The minimodule shows a high open-circuit voltage of >5 V when tested under 1-Sun illumination and >7 V at higher illumination intensities when tested with a flash simulator. The fill factor in these minimodules is limited by shunting at low illuminations but reaches a maximum of ~78% for higher illumination intensities >40 Suns (current density >1200 mA/cm 2 ), indicating that the minimodules are not limited by series resistance up to 40 Suns. Under 1000 nm monochromatic light, we measure efficiencies >40% at > 40 Suns equivalent illumination, showing the potential of passivated contact Si cells for laser power conversion.

14 SOLAR ENERGY↗
DOE OSTI2014

Feasible conversion of solid waste bauxite tailings into highly crystalline 4A zeolite with valuable application

Highlights: • Concept to convert waste to valuable product is carried out in this study. • An industrially feasible and cost-effective approach was developed and optimized. • Highly crystalline and well-defined zeolite was produced under moderate conditions. • The zeolite derived from the bauxite tailings displayed high ion exchange capacity. • Bauxite tailings have potential application in heavy metal ions adsorbent. - Abstract: Bauxite tailings are a major type of solid wastes generated in the flotation process. The waste by-products caused significant environmental impact. To lessen this hazardous effect from poisonous mine tailings, a feasible and cost-effective solution was conceived and implemented. Our approach focused on reutilization of the bauxite tailings by converting it to 4A zeolite for reuse in diverse applications. Three steps were involved in the bauxite conversion: wet-chemistry, alkali fusion, and crystallization to remove impurities and to prepare porous 4A zeolite. It was found that the cubic 4A zeolite was single phase, in high purity, with high crystallinity and well-defined structure. Importantly, the 4A zeolite displayed maximum calcium ion exchange capacity averaged at 296 mg CaCO{sub 3}/g, comparable to commercially-available zeolite (310 mg CaCO{sub 3}/g) exchange capacity. Base on the optimal synthesis condition, the reaction yield of zeolite 4A from bauxite tailings achieved to about 38.43%, hence, this study will provide a new paradigm for remediation of bauxite tailings, further mitigating the environmental and health care concerns, particularly in the mainland of PR China.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Integrated Approach to CO 2 Capture and Conversion to Cyclic Carbonates under Solvent- and Additive-Free Conditions Utilizing the CO 2 Capture Solvent EEMPA

An integrated CO 2 capture and conversion to materials (IC 3 M) implementation utilizing a CO 2 capture solvent is an efficient approach to reduce the amount of CO 2 in the atmosphere while producing value-added chemicals. In this work, we demonstrate that the advanced water-lean CO 2 capture solvent, N-(2-Ethoxyethyl)-3-morpholinopropan-1-amine (EEMPA), can catalyze the cycloaddition reaction between CO 2 and propylene oxide to produce the value-added chemical propylene carbonate in an IC 3 M fashion. When excess propylene oxide is used relative to EEMPA, yields as high as 75% with 85% selectivity toward propylene carbonate can be achieved under solvent-free conditions without the need of additives/cocatalysts. The reaction temperature (120 °C) is comparable to that used in the thermal regeneration of the capture solvent under industrial conditions. Formation of an undesired amino alcohol side product was observed, but it may be reversible or avoidable with continued research despite the unsuccessful initial attempts. Finally, we show that this can be applied to other epoxides for the production of various cyclic carbonates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

MZA: A Data Conversion Tool to Facilitate Software Development and Artificial Intelligence Research in Multidimensional Mass Spectrometry

Modern mass spectrometry-based workflows employing hybrid instrumentation and orthogonal separations collect multidimensional data, potentially allowing deeper understanding in omics studies through adoption of artificial intelligence methods. However, the large volume of these rich data challenges existing data storage and access technologies, therefore precluding informatics advancements. Here we present MZA™ (pronounced m-za), the mass-to-charge (m/z) generic data storage and access tool designed to facilitate software development and artificial intelligence research in multidimensional mass spectrometry measurements. Composed by a data conversion tool and a simple file structure based on the HDF5 format, MZA provides easy, cross-platform and efficient programmatic access to raw MS-data, enabling fast development of new tools in data science programming languages such as Python and R. The software executable and example Python and R scripts are freely available at https://github.com/PNNL-m-q/mza.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Relief Zones Enhance the Durability of Ultrathin Membranes in Electrochemical Conversion Devices

Premature failures in electrochemical conversion systems often result when membrane electrode assemblies (MEAs) use ultrathin (≤15 μm-thick) polymer electrolyte membranes, susceptible to mechanical degradation from stress concentrations arising from device-level integration. Herein, relief zones were developed to mitigate mechanical degradation by alleviating excess and nonuniform compression across active areas. Relief zones, created through ablation of carbonaceous diffusion media, enable seamless adaptation across MEA dimensions without need for hardware modifications. Demonstrated using fuel cells as a case study, accelerated stress tests revealed a 6-fold lifetime improvement (∼1500 h) compared to conventional edge-protected MEAs, decoupling device-level engineering effects from material limitations.

accelerated stress test↗
DOE OSTI2025

Compositionally Complex Spinel Oxides as Conversion Anodes for Lithium-Ion Batteries

Four different compositionally complex multicomponent M 3 O 4 spinels containing 5–8 distinct metals were prepared by a rapid combustion synthesis method or solvothermal synthesis. High resolution synchrotron X-ray diffraction patterns show that the materials consist primarily of spinel phases with small amounts of rock salt impurities, and, in several samples, a minor amount of contracted spinel phase. Materials were investigated as conversion anodes in lithium half-cells and delivered significantly higher capacities than two-component MgFe 2 O 4 made by combustion synthesis. X-ray absorption near-edge structure (XANES) was used to estimate the oxidation states of the metals in the pristine, lithiated (discharged) and delithiated (charged) materials to better understand the redox processes in half cells that led to the improvement. Co, Ni, and Zn are reduced to low oxidation states during lithiation (cell discharge) but are only partially oxidized. The presence of a conductive metallic network that forms after lithiation is thought to account for the improved electrochemical characteristics. Interestingly, in most of the samples, iron is not fully reduced during initial lithiation unlike what happens with a set of related high entropy spinel ferrites studied previously. Finally, the improved electrochemical properties of these materials illustrates both the advantages of complexity and the difficulties in predicting their behavior.

25 ENERGY STORAGE↗
DOE OSTI2025

Linking Pressure to Electrochemical Evolution in Solid-State Conversion Cathode Composites

Conversion-type cathodes, such as sulfur, FeS 2 , and FeF 3 , offer high theoretical capacities in solid-state lithium batteries but are hindered by substantial volume changes during cycling, leading to interfacial contact loss, crack formation, and microstructural degradation. Here, we investigate the relationships between electrochemical, mechanical, and structural evolution in solid-state electrode composites with these three active materials. Using real-time stack-pressure monitoring, synchrotron X-ray absorption spectroscopy, and electrokinetic modeling, we elucidate how stress evolution is linked to reversible and irreversible redox reactions. Nonlinear stack pressure evolution in cells with sulfur, FeS 2 , and FeF 3 electrode composites is found to arise from material-specific volume changes, the balance of volume change between the working and counter electrode, and the formation of distinct reaction intermediates. The three materials exhibit distinct stack pressure evolution, which is closely related to the different reaction processes in the materials, as demonstrated with X-ray absorption spectroscopy measurements. Through mesoscale modeling, we relate the experimental measurements to species evolution at the particle scale and track the dynamic coexistence of intermediate phases. Our findings highlight the importance of designing for volume changes of a given active material in solid-state battery systems.

batteries↗
DOE OSTI2018

Selectivity of Synthesis Gas Conversion to C 2+ Oxygenates on fcc(111) Transition-Metal Surfaces

Using a combined density functional theory and descriptor based microkinetic model approach, we predict production rate volcanos for higher oxygenate formation on (111) transition-metal surfaces. Despite their lower activity for CO conversion compared to stepped surfaces, (111) transition metal surfaces bring the potential for selectivity toward C 2+ oxygenates. As a result, the volcano plots can be used to rationalize and predict activity and selectivity trends for transition-metal-based catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Manifesto on the Thermochemistry of Nanoscale Redox Reactions for Energy Conversion

Advancements in the use of nanoscale materials for energy conversions will rely on a clear understanding of reaction thermochemistry. While band edge and Fermi energies can be rigorous thermodynamic descriptors of bulk materials, we show here that their application to nanoscale systems is problematic. A change of one electron at a 1000 atom nanoparticle or a localized surface site on a catalyst/electrode causes significant nuclear reorganization of the system. Electron transfer is often coupled with solvent reorganization and/or with the transfer of ions, including ion intercalation, surface binding, and movement within the surrounding double layer. These effects can be significant (even for some bulk materials). However, Fermi and band energies, as typically used, do not include the energetics of nuclear reorganizations or cation coupling. A comprehensive approach to nanoscale charge transfer thermodynamics must explicitly consider these effects in order to have a more complete understanding and greater control of nanoscale redox reactivity.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Impact of Drought Stress on Sorghum bicolor Yield, Deconstruction, and Microbial Conversion Determined in a Feedstocks-to-Fuels Pipeline

Sorghum is an attractive feedstock for biobased fuel and chemical production because it is familiar to farmers, naturally drought tolerant, and versatile as a food, feed, and fuel crop. Although sorghum is a promising feedstock, particularly in regions that experience drought stress, little is known about how drought conditions impact the ease of conversion of sorghum to fuels and products. This study combines agronomic field trials with a high-throughput experimental pipeline to explore the field performance and liquid biofuel (bisabolene) yields resulting from three sorghum types (photosensitive forage sorghum, optimized grain sorghum, and drought-resistant grain sorghum) grown under pre- and postflowering water limitations in two different California locations. Multiple drought treatments are compared to the control, as the timing (preflowering versus postflowering) of drought stress elicits different survival strategies and corresponding impacts on yield and composition. Forage-type sorghum maintained the highest biomass yields across all irrigation conditions and locations. Glucose and xylose yields resulting from ionic liquid pretreatment and enzymatic saccharification were not significantly impacted by irrigation treatments but differed by location and genotype. However, Rhodosporidium toruloides grown on the resulting plant hydrolysates unexpectedly produced higher titers of bisabolene for drought-stressed sorghum samples regardless of genotype.

09 BIOMASS FUELS↗
DOE OSTI2023

Enhanced CO 2 Reactive Capture and Conversion Using Aminothiolate Ligand–Metal Interface

Metallic catalyst modification by organic ligands is an emerging catalyst design in enhancing the activity and selectivity of electrocatalytic carbon dioxide (CO 2 ) reactive capture and reduction to value-added fuels. However, a lack of fundamental science on how these ligand–metal interfaces interact with CO 2 and key intermediates under working conditions has resulted in a trial-and-error approach for experimental designs. With the aid of density functional theory calculations, we provided a comprehensive mechanism study of CO 2 reduction to multicarbon products over aminothiolate-coated copper (Cu) catalysts. Our results indicate that the CO 2 reduction performance was closely related to the alkyl chain length, ligand coverage, ligand configuration, and Cu facet. The aminothiolate ligand–Cu interface significantly promoted initial CO 2 activation and lowered the activation barrier of carbon–carbon coupling through the organic (nitrogen (N)) and inorganic (Cu) interfacial active sites. Experimentally, the selectivity and partial current density of the multicarbon products over aminothiolate-coated Cu increased by 1.5-fold and 2-fold, respectively, as compared to the pristine Cu at –1.16 V RHE , consistent with our theoretical findings. Furthermore, this work highlights the promising strategy of designing the ligand–metal interface for CO 2 reactive capture and conversion to multicarbon products.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Methylamine-specific methyltransferase paralogs in Methanosarcina are functionally distinct despite frequent gene conversion

Abstract Sequenced archaeal genomes are mostly smaller and more streamlined than typical bacterial genomes; however, members of the Methanosarcina genus within the Euryarchaeaota are a significant exception, with M. acetivorans being the largest archaeal genome (5.8 Mbp) sequenced thus far. This finding is partially explained by extensive gene duplication within Methanosarcina spp. Significantly, the evolutionary pressures leading to gene duplication and subsequent genome expansion have not been well investigated, especially with respect to biological methane production (methanogenesis), which is the key biological trait of these environmentally important organisms. In this study, we address this question by specifically probing the functional evolution of two methylamine-specific methyltransferase paralogs in members of the Methanosarcina genus. Using the genetically tractable strain, M. acetivorans, we first show that the two paralogs have distinct cellular functions: one being required for methanogenesis from methylamine, the other for use of methylamine as a nitrogen source. Subsequently, through comparative sequence analyses, we show that functional divergence of paralogs is primarily mediated by divergent evolution of the 5′ regulatory region, despite frequent gene conversion within the coding sequence. This unique evolutionary paradigm for functional divergence of genes post-duplication underscores a divergent role for an enzyme singularly associated with methanogenic metabolism in other aspects of cell physiology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Cu 2 ZnSnS 4 solar cells with over 10% power conversion efficiency enabled by heterojunction heat treatment

Sulfide kesterite Cu 2 ZnSnS 4 provides an attractive low-cost, environmentally benign and stable photovoltaic material, yet the record power conversion efficiency for such solar cells has been stagnant at around 9% for years. Severe non-radiative recombination within the heterojunction region is a major cause limiting voltage output and overall performance. Here we report a certified 11% efficiency Cu 2 ZnSnS 4 solar cell with a high 730 mV open-circuit voltage using heat treatment to reduce heterojunction recombination. This heat treatment facilitates elemental inter-diffusion, directly inducing Cd atoms to occupy Zn or Cu lattice sites, and promotes Na accumulation accompanied by local Cu deficiency within the heterojunction region. Consequently, new phases are formed near the hetero-interface and more favourable conduction band alignment is obtained, contributing to reduced non-radiative recombination. Using this approach, we also demonstrate a certified centimetre-scale (1.11 cm2) 10% efficiency Cu 2 ZnSnS 4 photovoltaic device; the first kesterite cell (including selenium-containing) of standard centimetre-size to exceed 10%.

14 SOLAR ENERGY↗
DOE OSTI2024

Carbon conversion on biophotonic leaf

A photodiode can trigger bias-free redox reactions but is often hindered by thermodynamic barriers. Now, a bacteria-conjugated silicon biophotochemical diode allows simultaneous conversion of various carbon molecules with high efficacy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Thermionic Energy Conversion Based on Graphene van der Waals Heterostructures

Seeking for thermoelectric (TE) materials with high figure of merit (or ZT), which can directly converts low-grade wasted heat (400 to 500 K) into electricity, has been a big challenge. Inspired by the concept of multilayer thermionic devices, we propose and design a solid-state thermionic devices (as a power generator or a refrigerator) in using van der Waals (vdW) heterostructure sandwiched between two graphene electrodes, to achieve high energy conversion efficiency in the temperature range of 400 to 500 K. The vdW heterostructure is composed of suitable multiple layers of transition metal dichalcogenides (TMDs), such as MoS 2 , MoSe 2 , WS 2 and WSe 2 . From our calculations, WSe 2 and MoSe 2 are identified as two ideal TMDs (using the reported experimental material’s properties), which can harvest waste heat at 400 K with efficiencies about 7% to 8%. To our best knowledge, this design is the first in combining the advantages of graphene electrodes and TMDs to function as a thermionic-based device.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Opening pathways for the conversion of woody biomass into sustainable aviation fuel via catalytic fast pyrolysis and hydrotreating

Meeting aggressive decarbonization targets set by the International Civil Aviation Organization (ICAO) will require the rapid development of technologies to produce sustainable aviation fuel (SAF). Catalytic fast pyrolysis (CFP) can support these efforts by opening pathways for the conversion of woody biomass into an upgraded biogenic oil that can be further processed to SAF and other fuels. However, the absence of end-to-end experimental data for the process leads to uncertainty in the yield, product quality, costs, and sustainability of the pathway. The research presented here serves to address these needs through a series of integrated experimental campaigns in which real biomass feedstocks are converted to a final SAF product using large bench-scale continuous reactor systems. For these campaigns, the degree of catalytic upgrading during CFP was varied to produce CFP-oils with oxygen contents of 17 and 20 wt% on a dry basis. The CFP-oils were then hydrotreated and distilled into gasoline, diesel, and SAF fractions. Detailed yield and compositional data were obtained for each step of the process to inform technoeconomic and lifecycle analyses, and the fuel properties of the SAF fraction were evaluated to provide first-of-its-kind insight into the quality of the final product. This research reveals opportunities to optimize process carbon efficiency by tuning the degree of catalytic upgrading during the CFP step and highlights routes to produce a high-quality cycloalkane-rich SAF with 85–92% reduction in greenhouse gas emissions compared to fossil-based pathways.

09 BIOMASS FUELS↗
DOE OSTI2014

Optical spin-to-orbital angular momentum conversion in ultra-thin metasurfaces with arbitrary topological charges

Orbital angular momentum associated with the helical phase-front of optical beams provides an unbounded “space” for both classical and quantum communications. Among the different approaches to generate and manipulate orbital angular momentum states of light, coupling between spin and orbital angular momentum allows a faster manipulation of orbital angular momentum states because it depends on manipulating the polarisation state of light, which is simpler and generally faster than manipulating conventional orbital angular momentum generators. In this work, we design and fabricate an ultra-thin spin-to-orbital angular momentum converter, based on plasmonic nano-antennas and operating in the visible wavelength range that is capable of converting spin to an arbitrary value of orbital angular momentum ℓ. The nano-antennas are arranged in an array with a well-defined geometry in the transverse plane of the beam, possessing a specific integer or half-integer topological charge q. When a circularly polarised light beam traverses this metasurface, the output beam polarisation switches handedness and the orbital angular momentum changes in value by ℓ=±2qℏ per photon. We experimentally demonstrate ℓ values ranging from ±1 to ±25 with conversion efficiencies of 8.6% ± 0.4%. Our ultra-thin devices are integratable and thus suitable for applications in quantum communications, quantum computations, and nano-scale sensing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Broadband electromagnetic power harvester from vibrations via frequency conversion by impact oscillations

In this paper, we propose an electromagnetic power harvester that uses a transformative multi-impact approach to achieve a wide bandwidth response from low frequency vibration sources through frequency-up conversion. The device consists of a pick-up coil, fixed at the free edge of a cantilever beam with high resonant frequency, and two cantilever beams with low excitation frequencies, each with an impact mass attached at its free edge. One of the two cantilevers is designed to resonate at 25 Hz, while the other resonates at 50 Hz within the range of ambient vibration frequency. When the device is subjected to a low frequency vibration, the two low-frequency cantilevers responded by vibrating at low frequencies, and thus their thick metallic masses made impacts with the high resonance frequency cantilever repeatedly at two locations. This has caused it along with the pick-up coil to oscillate, relative to the permanent magnet, with decaying amplitude at its resonance frequency, and results in a wide bandwidth response from 10 to 63 Hz at 2 g. A wide bandwidth response between 10–51 Hz and 10–58 Hz at acceleration values of 0.5 g and 2 g, respectively, were achieved by adjusting the impact cantilever frequencies closer to each other (25 Hz and 45 Hz). A maximum output power of 85 μW was achieved at 5 g at 30 Hz across a load resistor, 2.68 Ω.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗