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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Wheat respiratory O2 consumption falls with night warming alongside greater respiratory CO2 loss and reduced biomass

Abstract Warming nights are correlated with declining wheat growth and yield. As a key determinant of plant biomass, respiration consumes O2 as it produces ATP and releases CO2 and is typically reduced under warming to maintain metabolic efficiency. We compared the response of respiratory O2 and CO2 flux to multiple night and day warming treatments in wheat leaves and roots, using one commercial (Mace) and one breeding cultivar grown in controlled environments. We also examined the effect of night warming and a day heatwave on the capacity of the ATP-uncoupled alternative oxidase (AOX) pathway. Under warm nights, plant biomass fell, respiratory CO2 release measured at a common temperature was unchanged (indicating higher rates of CO2 release at prevailing growth temperature), respiratory O2 consumption at a common temperature declined, and AOX pathway capacity increased. The uncoupling of CO2 and O2 exchange and enhanced AOX pathway capacity suggest a reduction in plant energy demand under warm nights (lower O2 consumption), alongside higher rates of CO2 release under prevailing growth temperature (due to a lack of down-regulation of respiratory CO2 release). Less efficient ATP synthesis, teamed with sustained CO2 flux, could thus be driving observed biomass declines under warm nights.

Posch, Bradley C. (ORCID:0000000309246608)↗
DOE OSTI2020

TiO2 Nanocrystal-Framed Li 2 TiSiO 5 Platelets for Low-Voltage Lithium Battery Anode

Titanium-based anode materials are attracting considerable attention for use in high-performance lithium-ion batteries, but the compromised energy density caused by high voltage plateaus and unsatisfactory capacities severely retards their practical applications. Herein, a molten-salt synthesis of Li 2 TiSiO 5 crystalline platelets and a subsequent selective facet modification by in situ growth of TiO 2 nanocrystal frames are facilely achieved. The discharge voltage plateau at around 0.5 V renders the Li 2 TiSiO 5 anode safe compared with graphite and confers a high energy density compared with zero-strain Li 4 Ti 5 O 12 anode. With the optimized size, structure, and content of modified TiO2 nanocrystals associated with the exposed (001) plane of Li 2 TiSiO 5 , the Li 2 TiSiO 5 -based anodes can deliver a capacity of above 300 mAh g -1 , enhanced rate performance, and a capacity retention of 66% after 10 000 cycles. In situ X-ray diffraction and ex situ transmission electron microscopy have demonstrated the structural stability of the anodes upon charge/discharge. Further theoretical calculation reveals 3D migration paths of Li + ions in Li 2 TiSiO 5 . The selective modification of in situ grown TiO2 nanocrystals on certain facets of crystallites opens a new door for the development of electrode materials possessing superior electrochemical properties.

anodes↗
DOE OSTI2024

Iron transformation mediates phosphate retention across a permafrost thaw gradient

Phosphorus limits primary productivity in many (Sub-)Arctic ecosystems and may constrain biological carbon sequestration. Iron (III) oxides strongly bind phosphate in soils but can dissolve under flooded, reducing conditions induced by permafrost thaw and ground collapse. The ability for iron to regulate phosphate storage and solubility in thawing permafrost landscapes remains unclear. Here, iron-rich sediments containing iron oxides and organic-bound iron were incubated with or without added phosphate in soils along a permafrost thaw gradient to evaluate how iron-phosphate associations respond to thaw-induced redox shifts. Iron oxides partially dissolved and released sorbed phosphate when incubated in soils underlain by degraded permafrost. Iron complexed by organic matter remained stable but provided no phosphate binding capacity. Phosphate addition enhanced iron oxide dissolution and phosphorus concentrations in associated microbial biomass. Our study demonstrates that the capacity for iron oxides to immobilize and retain phosphate in permafrost peatlands decreases with permafrost thaw.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

One-Step Spark Plasma Erosion Processing of Carbon-Coated Sn-Si Nanoparticles for Lithium-Ion Battery Anodes

High density portable energy storage is desirable owing to the energy requirements of portable electronics and electric vehicles. The Li-ion battery’s high energy density could be even further improved through the utilization of alternative materials (instead of carbon) for the anode, such as Sn or Si. Nonetheless, the large volume expansion upon lithiation, up to ~300% for Li 22 Si 5 , causes pulverization and rapid capacity degradation during cycling. Sn also forms a Li 22 Sn 5 compound with the equivalent stoichiometric Li capacity but with enhanced ductility. Nano-sized Si and Sn have demonstrated distinctive nanoscale properties, facilitating the retention of higher capacities, particularly when coated with carbon, which improves mechanical stability. To date, the methods of synthesizing coated Si, Sn, or Si-Sn alloyed nanoparticles are complicated, costly, and not readily scalable to meet the demands of cost-effective manufacturing. Spark plasma erosion in a hydrocarbon dielectric has been explored as a one-step process to produce Sn-Si alloy nanoparticles coated with a thin carbon film, offering a scalable and cost-effective processing route. The resulting Sn-Si particles exhibited a bi-modal size distribution at ~5 nm and ~500 nm and were carbon-coated, as intended, from the hydrocarbon dielectric breakdown. The spark-eroded nanoparticles were thoroughly characterized using TEM/EDS, XPS, AES, SSNMR, and TGA, and their improved electrochemical performance was assessed through half-cell experiments.

25 ENERGY STORAGE↗
DOE OSTI2023

Development of a Structure for Lossless Ion Manipulations (SLIM) High Charge Capacity Array of Traps

Enhancing the sensitivity of low abundance ions in a complex mixture without sacrificing experiment throughput is highly desirable. This work demonstrates a way to greatly improve the sensitivity of ion mobility (IM) selected ions by accumulating them in an array of high-capacity ion traps located inside a novel structures for lossless ion manipulations ion mobility spectrometer (SLIM-IMS) module. The array of ion traps used in this work consisted of seven independently controllable traps. Each trap was 386 mm long and possessed a charge capacity of ~4.5×10 8 charges, with a linear range extending to ~2.5×10 8 charges. Each ion trap could be used to extract a peak (or ions over a mobility range) from an ion mobility separation based on arrival time. Ions could be stored without losses for long times (>100 s) and then released all at once or one trap at a time. It was possible to accumulate large ion populations by extracting and storing ions over repeated IM separations. We report enrichment of up to seven individual ion distributions could be performed using the seven independently controllable ion traps. Additionally, the ion trapping process effectively compressed ion populations into narrow peaks, which provides a greatly improved basis for subsequent ion manipulations. The array of high charge-capacity ion traps provides a flexible addition to SLIM and a powerful tool for IMS-MS applications requiring high sensitivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Nano-enhanced solid-state hydrogen storage: Balancing discovery and pragmatism for future energy solutions

Nanomaterials have revolutionized the battery industry by enhancing energy storage capacities and charging speeds, and their application in hydrogen (H 2 ) storage likewise holds strong potential, though with distinct challenges and mechanisms. H 2 is a crucial future zero-carbon energy vector given its high gravimetric energy density, which far exceeds that of liquid hydrocarbons. However, its low volumetric energy density in gaseous form currently requires storage under high pressure or at low temperature. This review critically examines the current and prospective landscapes of solid-state H 2 storage technologies, with a focus on pragmatic integration of advanced materials such as metal-organic frameworks (MOFs), magnesium-based hybrids, and novel sorbents into future energy networks. These materials, enhanced by nanotechnology, could significantly improve the efficiency and capacity of H 2 storage systems by optimizing H 2 adsorption at the nanoscale and improving the kinetics of H 2 uptake and release. We discuss various H 2 storage mechanisms—physisorption, chemisorption, and the Kubas interaction—analyzing their impact on the energy efficiency and scalability of storage solutions. The review also addresses the potential of “smart MOFs”, single-atom catalyst-doped metal hydrides, MXenes and entropy-driven alloys to enhance the performance and broaden the application range of H 2 storage systems, stressing the need for innovative materials and system integration to satisfy future energy demands. High-throughput screening, combined with machine learning algorithms, is noted as a promising approach to identify patterns and predict the behavior of novel materials under various conditions, significantly reducing the time and cost associated with experimental trials. In closing, we discuss the increasing involvement of various companies in solid-state H 2 storage, particularly in prototype vehicles, from a techno-economic perspective. In conclusion, this forward-looking perspective underscores the necessity for ongoing material innovation and system optimization to meet the stringent energy demands and ambitious sustainability targets increasingly in demand.

25 ENERGY STORAGE↗
DOE OSTI2021

Inhibition of Rev-erbα ameliorates muscular dystrophy

Highlights: • Rev-erbα ablation in mdx mice protects against muscle damage and wasting. • Loss of Rev-erbα promoted regenerative myogenesis in mdx mice. • Rev-erbα deficiency in dystrophic muscle reduced inflammatory response. • Loss of Rev-erbα in mdx primary myoblasts promoted proliferation and differentiation. Duchene muscular dystrophy leads to progressive muscle structural and functional decline due to chronic degenerative-regenerative cycles. Enhancing the regenerative capacity of dystrophic muscle provides potential therapeutic options. We previously demonstrated that the circadian clock repressor Rev-erbα inhibited myogenesis and Rev-erbα ablation enhanced muscle regeneration. Here we show that Rev-erbα deficiency in the dystrophin-deficient mdx mice promotes regenerative myogenic response to ameliorate muscle damage. Loss of Rev-erbα in mdx mice improved dystrophic pathology and muscle wasting. Rev-erbα-deficient dystrophic muscle exhibit augmented myogenic response, enhanced neo-myofiber formation and attenuated inflammatory response. In mdx myoblasts devoid of Rev-erbα, myogenic differentiation was augmented together with up-regulation of Wnt signaling and proliferative pathways, suggesting that loss of Rev-erbα inhibition of these processes contributed to the improvement in regenerative myogenesis. Collectively, our findings revealed that the loss of Rev-erbα function protects dystrophic muscle from injury by promoting myogenic repair, and inhibition of its activity may have therapeutic utilities for muscular dystrophy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

A Comprehensive Experimental Study on Microstructure‐Graded Graphite Anodes for Enhancing Fast‐Charging Capability of Lithium‐Ion Batteries

Lithium‐ion batteries with high gravimetric capacity density and improved cycle life performance under fast‐charging conditions are crucial for widespread electric vehicle (EV) adoption. This study investigates how designing graphite anode microstructure, specifically porosity, and particle‐size gradients, improves lithium‐ion (Li + ) transport during fast‐charging conditions. Three‐layered graphite anodes with varying porosity (24%, 36%, 46%) and particle size gradients (3, 5, 10 μm) were compared to a conventional single‐layered electrode in half‐cell configurations. At room temperature and high discharge rate (2C), both gradient structures showed significantly enhanced capacity retention (80% and 67% vs. 50%) compared to the conventional electrode, highlighting the effectiveness of microstructure engineering for fast charging. The study also investigated the temperature's impact on cycle life. After 200 cycles at 2°C and 45°C, all gradient structures demonstrated superior capacity retention (≈80%) compared to the conventional electrode (35%), suggesting the gradients mitigate degradation rate at high temperatures. Electrochemical impedance spectroscopy confirmed superior Li+ diffusion and lower resistivity in gradient electrodes. Simulations explored the influence of gradient profiles on reaction kinetics across the electrode thickness. Overall, this research demonstrates that the fast‐charging capability of graphite electrodes can be greatly enhanced by engineering the electrode microstructure, thereby making EV technology more accessible and appealing.

Ahmadi, Soma↗
DOE OSTI2021

Construction of an Anion-Pillared MOF Database and the Screening of MOFs Suitable for Xe/Kr Separation

The separation of xenon/krypton (Xe/Kr) mixtures is a challenging process. Many porous materials allow the adsorption of both Xe and Kr but only with low selectivity. Anion-pillared metal–organic frameworks (MOFs), featuring the anion groups as structural pillars, show potential in gas separations, but only a limited number of them have been synthesized. Here, we describe a collection of 936 anion-pillared MOFs based on 22 experimentally available structures. We performed density functional theory (DFT) optimization and then assigned density-derived electrostatic and chemical (DDEC) charges for each MOF to make them well suited to molecular simulations. The structural properties of the MOFs vary more strongly with the choice of the organic ligand than with other aspects like fluorine groups and metal centers. We then screened the entire collection of MOFs in the context of Xe/Kr separation at room temperature. Compared with previously reported MOFs, the interpenetrated MOF SIFSIX-6-Cd-i is predicted to perform better for Xe/Kr separations, with a good balance between working capacity (1.62 mmol/g) and separation selectivity (16.4) at 298 K and 100 kPa. Here, we also found that the heterogeneity of fluorine groups within a MOF can help to enhance Xe working capacity without reducing the Xe/Kr selectivity, suggesting that synthesis of anion-pillared MOFs with mixed fluorine groups may lead to improved Xe/Kr separation performance.

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

Single-crystal NMC622 from combustion-assisted solid-state synthesis: Tunable particle size, voltage-dependent stability, and Li-ion diffusion

Cost-effective and scalable synthesis of single-crystal lithium–metal-oxide cathodes with controlled size and morphology remains challenging for advancing high-performance lithium-ion batteries. Here, we demonstrate a solution combustion–assisted solid-state method for producing single-crystal NMC622 with tunable particle size at various lithium stoichiometries. Structural and electronic characteristics were probed using synchrotron-XANES, EXAFS, XRD and XPS, confirming well-defined coordination environments and phase purity up to Li ≈ 1.3. The electrochemical behavior of LixNMC (x = 1.0 and 1.3) single crystals was evaluated across 2.8–4.3 V and 2.8–4.7 V windows to elucidate the effects of lithium content and operating voltage. At 2.8–4.3V, Li1.3NMC exhibits higher initial capacity due to its larger lithium inventory, while Li1.0NMC shows superior long-term retention driven by its larger crystal size and reduced structural distortion. Increasing the cutoff voltage to 4.7 V enhances the initial capacity of both compositions by 17–25%, but long-term capacity retention ultimately converges to values comparable to those at 4.3 V due to voltage-induced degradation, where Li+ diffusion constant remains lying ranging from 10−12 –10−11 cm2s−1. Overall, this study establishes a scalable combustion-assisted route for synthesizing tunable single-crystal NMC622 and highlights the interplay between lithium stoichiometry, particle size, and voltage window in governing cathode stability.

Roy, Subrata C [Jackson State University]↗
DOE OSTI2025

Enhancing heat pump water heater performance with embedded phase change materials thermal energy storage: First hour rating improvement and demand response operation

The increasing global emphasis on energy efficiency and sustainability has put heat pump water heaters (HPWHs) in the spotlight as an energy-efficient alternative to traditional water heating systems. However, their widespread adoption is limited by challenges such as insufficient First Hour Rating (FHR), suboptimal control mechanisms, and limited flexibility for demand response operations. Here, to address these limitations, this study proposes an innovative HPWH system integrated with embedded phase change material (PCM)-based thermal energy storage (TES). The research introduces a novel design and control strategy that leverages optimized PCM integration to enhance thermal storage capacity, improve hot water delivery during peak demand, and increase load-shifting potential. A combination of system modeling, performance simulation, and demand response control strategy evaluation was employed to quantify the benefits of PCM integration. Results demonstrate that the proposed PCM-TES HPWH system significantly enhances FHR, with an optimal 7.0 lb. of PCM increasing FHR by over 26 %—from 62 to 78 gal—for a standard 50-gal HPWH. Additionally, under advanced demand response operation using a preheat strategy, the system reduces the percentage of control temperature out-of-band time from 65 % (conventional HPWH) to just 11.6 %, enabling a more stable and efficient hot water supply. This research contributes a novel PCM-embedded HPWH design and control framework that addresses both performance and grid-interactivity challenges. The findings offer a viable pathway to enhancing the operational efficiency, flexibility, and grid responsiveness of residential water heating systems.

Demand response control↗
DOE OSTI2020

Probing Depth-Dependent Transition-Metal Redox of Lithium Nickel, Manganese, and Cobalt Oxides in Li-Ion Batteries

Layered lithium nickel, manganese, and cobalt oxides (NMC) are among the most promising commercial positive electrodes in the past decades. Understanding the detailed surface and bulk redox processes of Ni-rich NMC can provide useful insights into material design options to boost reversible capacity and cycle life. Both hard X-ray absorption (XAS) of metal K-edges and soft XAS of metal L-edges collected from charged LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) and LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) showed that the charge capacity up to removing ~0.7 Li/f.u. was accompanied with Ni oxidation in bulk and near the surface (up to 100 nm). Of significance to note is that nickel oxidation is primarily responsible for the charge capacity of NMC622 and 811 up to similar lithium removal (~0.7 Li/f.u.) albeit charged to different potentials, beyond which was followed by Ni reduction near the surface (up to 100 nm) due to oxygen release and electrolyte parasitic reactions. Overall, this observation points toward several new strategies to enhance reversible redox capacities of Ni-rich and/or Co-free electrodes for high-energy Li-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Surface Amorphization of Vanadium Dioxide (B) for K-ion Battery

Given the merits of low cost, fast ionic transport in electrolyte, and high operating voltage, potassium ion batteries (PIBs) are promising alternatives to lithium-ion batteries. However, developing suitable electrode materials that can reversibly accommodate large potassium ions is a great challenge. In this paper, guided by density functional theory (DFT) calculations, it is demonstrated that the strategy of interfacial engineering via surface amorphization of VO 2 (B) nanorods (SA-VO 2 ), which results in the formation of a crystalline core/amorphous shell heterostructure, enables superior K + storage performance in terms of large capacity, outstanding rate capability, and long cycle stability working as an anode for PIBs. DFT calculations reveal that the created crystalline/amorphous heterointerface in SA-VO 2 can substantially lower the surface energy, narrow the band gap, and reduce the K + diffusion barrier of VO 2 (B). These conditions enable enhanced K + storage capacity and rapid K + /electron transfer, which result in large capacity and outstanding rate capability. Using in situ X-ray diffraction and in situ transmission electron microscopy complemented by ex situ microscopic and spectroscopic techniques, it is unveiled that the superior cycling stability originates from the excellent phase reversibility with negligible strain response and robust mechanical behavior of SA-VO 2 upon (de)potassiation.

25 ENERGY STORAGE↗
DOE OSTI2020

Targeted synthesis and reaction mechanism discussion of Mo 2 C based insertion-type electrodes for advanced pseudocapacitors

Mo 2 C is one of the few compounds that possess good electronic conductivity. Meanwhile, it possesses a natural 1D zigzag tunnel structure that is ideally suited for fast ion diffusion. Here, an effective approach is demonstrated for fabrication of structurally stable N-doped Mo 2 C/C nanobelts. They demonstrate high and fast energy storage ability with initial capacitances of 1139 C g -1 at 1 mV s-1, 151 C g -1 at an extremely high scan rate of 2000 mV s -1 and 208 C g -1 at a discharge current density of 200 A g -1 . After electrochemical activation of cycling, the capacity is continuously enhanced and much higher capacitances of 2523 C g -1 at 1 mV s -1 and 1403 C g -1 at 50 A g -1 are achieved after 15,000 cycles at 50 mV s -1 . Using the power law, it is evaluated that a surface-controlled capacitive process makes the main contribution to the capacity, which is over 90% when the scan rates are higher than 10 mV s -1 and still high as 73% at 1 mV s -1 . From in situ synchrotron XRD, it is found that there is a negligible change in the crystal structure and volume during charging/discharging, reflecting an insertion-type charge storage mechanism.

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

Host Design for Carbon Capture and Regeneration in Porous Liquids

The demand for efficient gas capture technologies drives the exploration of porous liquids (PLs) as alternatives to traditional amine mixtures, which incur high operational costs due to energy-intensive regeneration processes. This research investigates the use of porous organic cages (POCs) within PLs to enhance gas capture and separation capabilities. We demonstrate that the flexibility of POCs under isostatic pressure facilitates the expulsion of captured gas molecules, enabling low-energy regeneration and the creation of an isostatic pressure testing capability for PLs. Additionally, a new CC3-OH POC derivative with scrambled hydroxides exhibits a twofold increase in CO 2 adsorption capacity, attributed to enhanced interactions between hydroxide linkers and CO 2 . Furthermore, we explore the stability of azobenzene-containing organic cages formed via imine and amine bonds, revealing that the flexible amine bond allows for more efficient E-Z isomerization. Our findings highlight the transformative potential of PLs and azobenzene-derived systems in gas separation technologies, paving the way for innovative low-energy regeneration pathways.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Optimizing iodine adsorption in functionalized metal-organic frameworks via an unprecedented positional isomerism strategy

Porous metal–organic frameworks (MOFs) have emerged as highly promising adsorbents for capturing radioiodine, a predominant fission product released during nuclear fuel reprocessing. However, systematic investigations into the correlation between MOF structure and iodine uptake capacity remain scarce. Here, we present a novel approach to enhance the iodine adsorption capacity of MOFs by optimizing linker functionalization. Using ligand-functionalized thorium-based MOFs as a structural platform, we demonstrate that ortho-amino-substitution near the node of the dicarboxylate linker significantly increases iodine adsorption capacity compared to meta-amino-substitution, where the amino groups are directed away from the node. Specifically, ortho-substituted Th-UiO-68-3,3”-(NH 2 ) 2 exhibits higher iodine uptake capacities than the meta-substituted Th-UiO-68-2,2”-(NH 2 ) 2 via both vapor diffusion-based (2.042 vs. 1.087 g/g) and solution-based (0.841 vs. 0.784 g/g) processes. Notably, the I 2 vapor adsorption capacity (2.042 g/g) of Th-UiO-68-3,3”-(NH 2 ) 2 represents the second highest among all reported Th-MOFs. Pair distribution function (PDF) studies reveal that the superior iodine uptake performance of ortho-functionalized MOFs can be attributed to the reduced steric hindrance of the amino groups compared with the meta-substituted variants. Finally, this research highlights how positional isomerism and its subtle alterations can significantly influence host–guest interactions, extending beyond simple structural considerations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗