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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
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Development of Flexible Energy Storage Device for Wearable Electronics using All-organic Composites

As the demands and applications of wearable electronics increase, the need of power supply for wearable electronics becomes the critical issue. Both batteries and capacitors can be used as power supplier. In terms of energy storage device, capacitors have many advantages over the batteries, but have a lower energy storage density. To improve the energy density, composites, in which inorganic particles are embedded in a polymer matrix, have been identified as a promising approach to create the dielectrics with a higher energy storage density. The physics behind the composite approach is that the inorganics have a higher dielectric constant and polymers can stand with a higher electric field so that the composites can exhibit a relative dielectric constant and stand with a relative electric field. Therefore, the composites can exhibit a higher energy storage density. However, the embedment of inorganic particles into polymer severely reduces the flexibility of the polymer. To develop flexible energy storage ultracapacitors as an energy storage device for wearable electronics, an all-organic composite approach, in which a dielectric polymer is mixed with polar organic molecules, is introduced. It is experimentally found that by adding a small amount of polar organic molecules into dielectric polymers, the polymers exhibits a high dielectric constant and can stand with a higher electric field. More importantly, the flexibility of the all-organic composites is better than the polymer matrix. Therefore, the all-organic composites can be a strong and promising candidate for the development of flexible energy storage devices for the wearable electronics. In this study, three different dielectric polymers and three different polar molecules were studied. All the all-organic composite systems exhibit a significant improvement on the energy storage density. These new flexible energy storage devices are being developed to be fabricated with on-demandadditive electronics manufacturing processes, so that they can be fabricated when needed in space on the International Space Station and planned lunar habitat and other future missions. These flexible energy storage devices will provide the storage in concert with other printed power generation devices to allow crew health and structural health monitoring sensor devices and systems to be self-powered, not requiring any external power or batteries.

energy storage↗
DOE OSTI2022

Photocatalyzed electron exchange between organic chromophores and hematite nanoparticles and the role of solid-state charge transport

Understanding photocatalyzed redox interactions between Fe(III)–(oxyhydr)oxide mineral nanoparticles and adsorbed chromophoric organic matter is critical for accurately predicting bioavailable iron fluxes in the euphotic zone of natural aquatic systems, and for improving the effectiveness of nano-iron-based water purification systems. However, the electron transfer processes that underpin photoreductive dissolution at particle/organic/solution interfaces occur on ultrafast timescales and thus remain difficult to probe. In this work, we report an ultrafast transient absorption spectroscopy (TAS) study of suspensions of hematite nanoplatelets (HNPs) sensitized by adsorbed rhodamine B (RhB) dye as a function of solution media and pH. The TAS results indicate a substantially longer fluorescence lifetime of RhB adsorbed on HNPs across a wide range of pH conditions, consistent with transient photoinduced electron transfer to the oxide with recombination kinetics controlled by electron migration back to the interface via small polaron hopping. Normalization of the observed kinetics to the measured surface loading of RhB at different pH values shows that the recombination rates are insensitive to environmental variables, likely controlled instead by particle properties that determine small polaron diffusion behavior.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Side chain engineering in indacenodithiophene- co -benzothiadiazole and its impact on mixed ionic–electronic transport properties

Organic semiconductors are increasingly being decorated with hydrophilic solubilising chains to create materials that can function as mixed ionic–electronic conductors, which are promising candidates for interfacing biological systems with organic electronics. While numerous organic semiconductors, including p- and n-type materials, small molecules and polymers, have been successfully tailored to encompass mixed conduction properties, common to all these systems is that they have been semicrystalline materials. Here, we explore how side chain engineering in the nano-crystalline indacenodithiophene-co-benzothiadiazole (IDTBT) polymer can be used to instil ionic transport properties and how this in turn influences the electronic transport properties. This allows us to ultimately assess the mixed ionic–electronic transport properties of these new IDTBT polymers using the organic electrochemical transistor as the testing platform. Using a complementary experimental and computational approach, we find that polar IDTBT derivatives can be infiltrated by water and solvated ions, they can be electrochemically doped efficiently in aqueous electrolyte with fast doping kinetics, and upon aqueous swelling there is no deterioration of the close interchain contacts that are vital for efficient charge transport in the IDTBT system. Despite these promising attributes, mixed ionic–electronic charge transport properties are surprisingly poor in all the polar IDTBT derivatives. Albeit a “negative” result, this finding clearly contradicts established side chain engineering rules for mixed ionic–electronic conductors, which motivated our continued investigation of this system. We eventually find this anomalous behaviour to be caused by increasing energetic disorder in the polymers with increasing polar side chain content. We have investigated computationally how the polar side chain motifs contribute to this detrimental energetic inhomogeneity and ultimately use the learnings to propose new molecular design criteria for side chains that can facilitate ion transport without impeding electronic transport.

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

Bridging Additive Manufacturing and Electronics Printing in the Age of AI

Printing techniques have been instrumental in developing flexible and stretchable electronics, including organic light-emitting diode displays, organic thin film transistor arrays, electronic skins, organic electrochemical transistors for biosensors and neuromorphic computing, as well as flexible solar cells with low-cost processes such as inkjet printing, ultrasonic nozzle, roll-to-roll coating. The rise of additive manufacturing provides even more opportunities to print electronics in automated and customizable ways. In this work, we will review the current technologies of printing electronics (including printed batteries, supercapacitors, fuel cells, and sensors), especially with 3D printing. In this age of ongoing AI revolution, the application of AI algorithms is discussed in terms of combining them with 3D printing and electronics printing for a future with automated optimization, sustainable design, and customizable and scalable manufacturing.

Chemistry↗
DOE OSTI2025

Northern peatland microbial communities exhibit resistance to warming and acquire electron acceptors from soil organic matter

The response of microbial communities that regulate belowground carbon turnover to climate change drivers in peatlands is poorly understood. Here, we leverage a whole ecosystem warming experiment to elucidate the key processes of terminal carbon decomposition and community responses to temperature rise. Our dataset of 697 metagenome-assembled genomes (MAGs) represents the microbial community from the surface (10 cm) to 2 m deep into the peat column, with only 3.7% of genomes overlapping with other well-studied peatlands. Community composition has yet to show a significant response to warming after 3 years, suggesting that metabolically diverse soil microbial communities are resistant to climate change. Surprisingly, abundant and active methanogens in the genus Candidatus Methanoflorens, Methanobacterium , and Methanoregula show the potential for both acetoclastic and hydrogenotrophic methanogenesis. Nonetheless, the predominant pathways for anaerobic carbon decomposition include sulfate/sulfite reduction, denitrification, and acetogenesis, rather than methanogenesis based on gene abundances. Multi-omics data suggest that organic matter cleavage provides terminal electron acceptors, which together with methanogen metabolic flexibility, may explain peat microbiome composition resistance to warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Model associated with: "Thermodynamic control on the decomposition of organic matter across different electron acceptors"

This model data package is associated with the publication “Thermodynamic control on the decomposition of organic matter across different electron acceptors” submitted to Soil Biology and Biochemistry (Zheng et al., 2023; https://doi.org/10.1016/j.soilbio.2024.109364).In this research, a thermodynamic modeling framework is built to flexibly incorporate both organic matter (OM) molecules and electron acceptors for estimating potential free energy release from various redox reactions and to further predict reaction rates based on Microbial Transition State Theory. The model package includes scripts for thermodynamic modeling and postprocessing. Input Fourier-transform ion cyclotron resonance (FTICR) data are from a previous experimental study (Boye et al., 2018), and model outputs are free energy predictions and stoichiometric coefficients associated with all possible redox reactions.This data package is associated with the project GitHub repository found at MM_bioenergetic_modeling.This data package contains four folders (Input_FTICR, Model, Output, and Output_processing), a file-level metadata (FLMD) csv, and a data dictionary (dd) csv. Please see Zheng_bioenergetic_modeling_flmd.csv for a list of all files contained in this data package and descriptions for each. The Zheng_bioenergetic_modeling_dd.csv file describes the csv column headers. The “Model” folder contains scripts to run energy balance calculations for each electron acceptor. The “Output” folder contains csv files with stoichiometric information from model simulations. And the "Output_processing" folder contains scripts for reaction rate calculations and to generate plots.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

SPRUCE Warming Promotes the Use of Organic Matter as an Electron Acceptor in a Peatland: Supporting Data

These data are provided in support of the publication: Warming Promotes the Use of Organic Matter as an Electron Acceptor in a Peatland (Rush et al., 2021). Rush et al. (2021) reported on the effect of temperature on microbial organic matter reduction at the SPRUCE study site and S1 bog. Specifically, electron shuttling capacity (ESC), CH4 production, CO2 production, and acetate concentration were measured to explore both direct and indirect (through changes in soil quality and water-table level) effects of warming on microbial activity. Samples were collected in the summer of 2016 and 2017 depending on the experiment. This dataset contains five files in comma separated (*.csv) format. The SPRUCE Experiment Site is located in a Picea mariana [black spruce] Sphagnum spp. bog forest in northern Minnesota, 40 km north of Grand Rapids, in the USDA Forest Service Marcell Experimental Forest (MEF). This ecosystem, which is located at the southern margin of the boreal forest, is considered especially vulnerable to climate change and anticipated to be near its tipping point.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Methyl Viologen Lead Iodide for Photocatalytic Reductive Coupling of Aromatic Carbonyls via Proton-Coupled Electron Transfer

Organic–inorganic metal halides (OIMHs) have emerged as promising photocatalysts for organic transformations due to their excellent optoelectronic properties. However, their instability, particularly under protic conditions, has limited their broader applications. Here, we report that a facilely prepared methyl viologen lead iodide (MVPb 2 I 6 ) powder can efficiently catalyze the visible-light-driven reductive coupling of aromatic aldehydes and ketones in protic solvents. Remarkably, MVPb 2 I 6 retains its structural integrity after photoreduction, highlighting its robustness. These results suggest that incorporating quaternary pyridinium cations into the OIMHs can enhance their stability and expand their applicability in photocatalytic organic synthesis.

organic-inorganic hybrid composites↗
DOE OSTI2021

Warming promotes the use of organic matter as an electron acceptor in a peatland

Peatlands store approximately one-half of terrestrial soil organic carbon (C) and the future of this C in the face of ongoing global change remains a key question in global biogeochemistry. Particularly pressing is the need to understand if this C will remain in peatland soils or be returned to the atmosphere as the potent greenhouse gas methane (CH 4 ) in response to warming. Past work has demonstrated that the microbial reduction of organic matter (OM) as an alternative terminal electron acceptor (TEA) under anaerobic conditions can suppress CH 4 production and is a key mechanistic control of peatland CH 4 dynamics. Here we show that warming directly enhances rates of potential OM reduction in peatland soils, enhancing acetate availability and allowing for a faster onset of CH 4 production. Finally, using soils collected from the ecosystem-scale Spruce and Peatland Responses Under Changing Environments (SPRUCE) experiment, we also show that while there were no indirect effects of 2 years of soil warming on potential OM reduction through changes in soil quality, warming-mediated lowering of the water table increased the volume of oxidized OM which will suppress CH 4 production following rewetting events.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Progressive evolutions of non-fused ring electron acceptors toward efficient organic solar cells with improved photocurrent and reduced energy loss

Resolving competitive counterbalance between high external quantum efficiency (EQE) response and low energy loss is critical for achieving efficient organic solar cells (OSCs), including those based on low-cost non-fused-ring electron acceptor (NFREA). In this work, we performed a comparable study by utilizing four NFREAs with progressive evolutions in molecular structures, energetic levels, spectral coverages, crystallinity, etc, to pair with polymer donor J52. By regulating the terminal and side chains of NFREAs, the enhanced intramolecular charge transfer (ICT) effect allows O-PC-EH possessing the broader spectral coverage for higher photocurrent, the reduced energetic offset enables O-PC-EH-based device owning higher luminescence property for lower energy loss, the strengthened crystallinity endows O-PC-EH-based blend better charge transport property for less charge recombination. With those comprehensive managements from molecule to blend properties, the J52:O-PC-EH-based OSCs achieved the best efficiency of 14.4% (certified: 14.1%) with benefits in all the three device parameters. Here, this work reveals the importance of fine-tuning molecular structures of NFREAs according to paired polymer donor for maximizing the device performances.

14 SOLAR ENERGY↗
DOE OSTI2022

Closing the loop between microstructure and charge transport in conjugated polymers by combining microscopy and simulation

A grand challenge in materials science is to identify the impact of molecular composition and structure across a range of length scales on macroscopic properties. We demonstrate a unified experimental–theoretical framework that coordinates experimental measurements of mesoscale structure with molecular-level physical modeling to bridge multiple scales of physical behavior. Here we apply this framework to understand charge transport in a semiconducting polymer. Spatially-resolved nanodiffraction in a transmission electron microscope is combined with a self-consistent framework of the polymer chain statistics to yield a detailed picture of the polymer microstructure ranging from the molecular to device relevant scale. Using these data as inputs for charge transport calculations, the combined multiscale approach highlights the underrepresented role of defects in existing transport models. Short-range transport is shown to be more chaotic than is often pictured, with the drift velocity accounting for a small portion of overall charge motion. Local transport is sensitive to the alignment and geometry of polymer chains. At longer length scales, large domains and gradual grain boundaries funnel charges preferentially to certain regions, creating inhomogeneous charge distributions. While alignment generally improves mobility, these funneling effects negatively impact mobility. The microstructure is modified in silico to explore possible design rules, showing chain stiffness and alignment to be beneficial while local homogeneity has no positive effect. This combined approach creates a flexible and extensible pipeline for analyzing multiscale functional properties and a general strategy for extending the accesible length scales of experimental and theoretical probes by harnessing their combined strengths.

42 ENGINEERING↗
DOE OSTI2021

Biomaterial–Based Solid–Electrolyte Organic Electrochemical Transistors for Electronic and Neuromorphic Applications

In this work a systematic study of biomaterial–based solid–state organic electrochemical transistors (OECTs) is presented in which biogels consisting of gelatin and glycerol, two food–grade materials, are chosen as the model solid electrolyte. Such gels are fundamentally attractive for bioelectronics and wearable applications due to their superior and tunable electrical and mechanical properties, which allow one to fabricate solid–state organic transistors with high ON/OFF ratio and transconductance, possible millisecond–switching speed, and 6–month stability in ambient air. Next, the authors show a good control of the state–retention property of biogel OECTs, demonstrated herein by employing them as artificial synapses with various synaptic functions, such as frequency–based short–term plasticity. This study herein paves the way for the development of biomaterial–based electronics by providing guiding principles for future works that employ biomaterials in OECTs.

36 MATERIALS SCIENCE↗