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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Heat-Treated Aerogel as a Catalyst for the Oxygen Reduction Reaction

Aerogels are fascinating materials that can be used for a wide range of applications, one of which is electrocatalysis of the important oxygen reduction reaction. In their inorganic form, aerogels can have ultrahigh catalytic site density, high surface area, and tunable physical properties and chemical structures—important features in heterogeneous catalysis. Herein, we report on the synthesis and electrocatalytic properties of an iron–porphyrin aerogel. 5,10,15,20-(Tetra-4-aminophenyl)porphyrin (H 2 TAPP) and Fe II were used as building blocks of the aerogel, which was later heat-treated at 600 °C to enhance electronic conductivity and catalytic activity, while preserving its macrostructure. The resulting material has a very high concentration of atomically dispersed catalytic sites (9.7×10 20 sites g –1 ) capable of catalyzing the oxygen reduction reaction in alkaline solution (E onset =0.92 V vs. RHE, TOF=0.25 e – site –1 s –1 at 0.80 V vs. RHE).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Solar–Driven CO 2 Conversion via Optimized Photothermal Catalysis in a Lotus Pod Structure

Photothermal CO 2 reduction is one of the most promising routes to efficiently utilize solar energy for fuel production at high rates. However, this reaction is currently limited by underdeveloped catalysts with low photothermal conversion efficiency, insufficient exposure of active sites, low active material loading, and high material cost. Herein, we report a potassium-modified carbon-supported cobalt (K + –Co–C) catalyst mimicking the structure of a lotus pod that addresses these challenges. As a result of the designed lotus-pod structure which features an efficient photothermal C substrate with hierarchical pores, an intimate Co/C interface with covalent bonding, and exposed Co catalytic sites with optimized CO binding strength, the K + –Co–C catalyst shows a record-high photothermal CO 2 hydrogenation rate of 758 mmol gcat –1 h –1 (2871 mmol gCo –1 h –1 ) with a 99.8 % selectivity for CO, three orders of magnitude higher than typical photochemical CO 2 reduction reactions. Here, we further demonstrate with this catalyst effective CO 2 conversion under natural sunlight one hour before sunset during the winter season, putting forward an important step towards practical solar fuel production.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Graphitic Carbon Nitride Quantum Dots (g‐C 3 N 4 QDs): From Chemistry to Applications

Since their emergence in 2014, graphitic carbon nitride quantum dots (g-C 3 N 4 QDs) have attracted much interest from the scientific community due to their distinctive physicochemical features, including structural, morphological, electrochemical, and optoelectronic properties. Owing to their desirable characteristics, such as non-zero band gap, ability to be chemically functionalized or doped, possessing tunable properties, outstanding dispersibility in different media, and biocompatibility, g-C 3 N 4 QDs have shown promise for photocatalysis, energy devices, sensing, bioimaging, solar cells, optoelectronics, among other applications. As these fields are rapidly evolving, it is very strenuous to pinpoint the emerging challenges of the g-C 3 N 4 QDs development and application during the last decade, mainly due to the lack of critical reviews of the innovations in the g-C 3 N 4 QDs synthesis pathways and domains of application. Herein, an extensive survey is conducted on the g-C 3 N 4 QDs synthesis, characterization, and applications. Scenarios for the future development of g-C 3 N 4 QDs and their potential applications are highlighted and discussed in detail. In conclusion, the provided critical section suggests a myriad of opportunities for g-C 3 N 4 QDs, especially for their synthesis and functionalization, where a combination of eco-friendly/single step synthesis and chemical modification may be used to prepare g-C 3 N 4 QDs with, for example, enhanced photoluminescence and production yields.

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

Isolation and characterization of lignocellulosic nanofibers from four kinds of organosolv-fractionated lignocellulosic materials

The objective of this research was to investigate the presence of residual lignin in cellulose fibers on the efficiency and energy consumption during nanofibers processing. Four kinds of lignin-containing cellulose nanofibers (LCNFs) from switchgrass, yellow poplar, hybrid poplar, and pine, respectively, were isolated via organosolv fractionation coupling mechanical grinding. Nanofibrils were observed after organosolv fractionation. The details of their morphological features, chemical structures, water retention value (WRV), and thermal degradation characteristics were revealed and compared. Mean diameters of nanofibers separated from switchgrass, yellow poplar, hybrid poplar, and pine were 27.9 nm, 25.4 nm, 24.6 nm, and 21.5 nm, respectively. The presence of lignin for the four types of LCNFs led to a decrease in energy consumption and an increase in WRV, among which pine nanofibers show the best with an average energy consumption of 0.511 kWh/kg and a WRV of 537%. It was also demonstrated that increasing lignin content for LCNFs could contribute to the sample’s thermal stability. In conclusion, exact benefits of residual lignin for nanofiber will facilitate its preparation process and extend its application.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Trace double-component gas sensor in photoacoustic spectroscopy based on frequency division multiplexing

In this paper, we demonstrated a trace double-component gas detection system based on frequency division multiplexing using two-way distributed feedback laser diode (DFB-LD) as the excitation laser source. In the frequency response range of photoacoustic spectroscopy (PAS) cell, this detection system could detect the second harmonics of different frequencies f{sub 0} and f{sub 1}, which were excited by the gas absorption using the two wavelengths of DFB-LD at modulation frequencies f{sub 0}/2 and f{sub 1}/2. Unlike previous double-component gas sensor, these two DFB-LDs connected into the both ends of PAS cell without optical fiber coupler could effectively improve the excited light intensity and simplify the system structure. This feature allowed the trace detection of double-component gas of mixed-methane (CH{sub 4}) and water (H{sub 2}O) vapor with a low detection limits 11.055 ppm and 885 ppb, respectively. Additionally, the linear responses to the gas concentration were achieved 0.9986 and 0.9997, and it exhibited potentially as an effective detection system for complex gas component.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

The Influence of the Regimes of Thermomechanical Treatments on the Features of Heterophase and Grain Structure of A V–Cr–Zr–Ta Alloy

A comparative investigation of the influence of thermomechanical treatment modes on the structural-phase state and mechanical properties of a V–Cr–Zr–Ta low-activation vanadium alloy is performed. It is demonstrated that the use of thermomechanical treatment improves the level of short-term strength at room and elevated temperatures. The alloy is characterized by high ductility in a wide range of temperatures irrespective of the regimes of thermomechanical treatment. It is found out that the V–Cr–Zr–Ta alloy possesses higher thermal microstructure stability and mechanical properties compared to those of the V–Ti–Cr alloys.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Evaluation of UAV-derived multimodal remote sensing data for biomass prediction and drought tolerance assessment in bioenergy sorghum

Screening for drought tolerance is critical to ensure high biomass production of bioenergy sorghum in arid or semi-arid environments. The bottleneck in drought tolerance selection is the challenge of accurately predicting biomass for a large number of genotypes. Although biomass prediction by low-altitude remote sensing has been widely investigated on various crops, the performance of the predictions are not consistent, especially when applied in a breeding context with hundreds of genotypes. In some cases, biomass prediction of a large group of genotypes benefited from multimodal remote sensing data; while in other cases, the benefits were not obvious. In this study, we evaluated the performance of single and multimodal data (thermal, RGB, and multispectral) derived from an unmanned aerial vehicle (UAV) for biomass prediction for drought tolerance assessments within a context of bioenergy sorghum breeding. The biomass of 360 sorghum genotypes grown under well-watered and water-stressed regimes was predicted with a series of UAV-derived canopy features, including canopy structure, spectral reflectance, and thermal radiation features. Biomass predictions using canopy features derived from the multimodal data showed comparable performance with the best results obtained with the single modal data with coefficients of determination (R 2 ) ranging from 0.40 to 0.53 under water-stressed environment and 0.11 to 0.35 under well-watered environment. The significance in biomass prediction was highest with multispectral followed by RGB and lowest with the thermal sensor. Finally, two well-recognized yield-based drought tolerance indices were calculated from ground truth biomass data and UAV predicted biomass, respectively. Results showed that the geometric mean productivity index outperformed the yield stability index in terms of the potential for reliable predictions by the remotely sensed data. Collectively, this study demonstrated a promising strategy for the use of different UAV-based imaging sensors to quantify yield-based drought tolerance.

09 BIOMASS FUELS↗
DOE OSTI2018

Infants Infected with Respiratory Syncytial Virus Generate Potent Neutralizing Antibodies that Lack Somatic Hypermutation

Respiratory syncytial virus (RSV) is a leading cause of infant mortality, and there are currently no licensed vaccines to protect this vulnerable population. A comprehensive understanding of infant antibody responses to natural RSV infection would facilitate vaccine development. Here, we isolated more than 450 RSV fusion glycoprotein (F)-specific antibodies from 7 RSV-infected infants and found that half of the antibodies recognized only two antigenic sites. Antibodies targeting both sites showed convergent sequence features, and structural studies revealed the molecular basis for their recognition of RSV F. We report a subset of antibodies targeting one of these sites displayed potent neutralizing activity despite lacking somatic mutations, and similar antibodies were detected in RSV-naive B cell repertoires, suggesting that expansion of these B cells in infants may be possible with suitably designed vaccine antigens. Collectively, our results provide fundamental insights into infant antibody responses and a framework for the rational design of age-specific RSV vaccines.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Solving high-dimensional partial integral differential equations: The finite expression method

Partial integro-differential equations (PIDEs) have broad applications in the sciences, from electro-magnetism to options pricing. Here, in this paper, we introduce a new finite expression method (FEX) to solve PIDEs. This approach builds upon the original FEX and its inherent advantages with new advances: 1) A novel method of parameter grouping is proposed to reduce the number of coefficients in high-dimensional function approximation; 2) A Taylor series approximation method is implemented to significantly improve the computational efficiency and accuracy of the evaluation of the integral terms of PIDEs. The new FEX based method, denoted FEX-PG to indicate the addition of the parameter grouping (PG) step to the algorithm, provides both high accuracy and interpretable numerical solutions, with the outcome being an explicit equation that facilitates intuitive understanding of the underlying solution structures. These features are often absent in traditional methods, such as finite element methods (FEM) and finite difference methods, as well as in deep learning-based approaches. To benchmark our method against recent advances, we apply the new FEX-PG to solve benchmark PIDEs in the literature. In high-dimensional settings, FEX-PG exhibits strong and robust performance, achieving relative errors on the order of single precision machine epsilon, significantly outperforming existing approaches based on neural networks.

Combinatorial optimization↗
DOE OSTI2025

Influence of temperature, oxygen partial pressure, and microstructure on the high-temperature oxidation behavior of the SiC Layer of TRISO particles

Tristructural isotropic (TRISO)-coated fuel particles are designed for use in high-temperature gas-cooled nuclear reactors, featuring a structural SiC layer that may be exposed to oxygen-rich environments over 1000 °C. Surrogate TRISO particles were tested in 0.2–20 kPa O 2 atmospheres to observe the differences in oxidation behavior. Oxide growth mechanisms remained consistent from 1200–1600 °C for each P O$_2$ , with activation energies of 228 ± 7 kJ/mol for 20 kPa O 2 and 188 ± 8 kJ/mol for 0.2 kPa O 2 . At 1600 °C, kinetic analysis revealed a change in oxide growth mechanisms between 0.2 and 6 kPa O2. In 0.2 kPa O 2 , oxidation produced raised oxide nodules on pockets with nanocrystalline SiC. Oxidation mechanisms were determined using Atom probe tomography. Active SiC oxidation occurred in C-rich grain boundaries with low P O$_2$ , leading to SiO 2 buildup in porous nodules. Here, this phenomenon was not observed at any temperature in 20 kPa O 2 environments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Ammonia sensing properties of V-doped ZnO:Ca nanopowders prepared by sol–gel synthesis

V-doped ZnO:Ca nanopowders with different V loading were prepared by sol–gel synthesis and successive drying in ethanol under supercritical conditions. Characterization data of nanopowders annealed at 700 °C in air, revealed that they have the wurtzite structure. Raman features of V-doped ZnO:Ca samples were found to be substantially modified with respect to pure ZnO or binary ZnO:Ca samples, which indicate the substitution of vanadium ions in the ZnO lattice. The ammonia sensing properties of V-doped ZnO:Ca thick films were also investigated. The results obtained demonstrate the possibility of a fine tuning of the sensing characteristics of ZnO-based sensors by Ca and V doping. In particular, their combined effect has brought to an enhanced response towards NH{sub 3} compared to bare ZnO and binary V-ZnO and Ca-ZnO samples. Raman investigation suggested that the presence of Ca play a key role in enhancing the sensor response in these ternary composite nanomaterials. - Graphical abstract: V-doped ZnO:Ca nanopowders prepared by sol–gel synthesis possess enhanced sensing characteristics towards NH{sub 3} compared to bare ZnO. - Highlights: • V-doped ZnO:Ca nanopowders with different V loading were prepared by sol–gel synthesis. • Raman features of V-doped ZnO:Ca samples indicate the substitution of V ions in the ZnO lattice. • Combined effects of dopants have brought to an enhanced response to NH{sub 3} compared to ZnO. • Ca play a key role in enhancing the sensor response of ternary V-doped ZnO:Ca composites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Realization of strong violet and blue emissions from ZnO thin films by incorporation of Cu ions

Highlights: • A strong blue-violet co-emission occurs after Cu ions are doped into ZnO thin films.. • The violet emission centered at 430 nm is attributed to transitions of electrons from conduction band to Cu{sup +} acceptor levels. • The blue emission centered at 470 nm is attributed to transitions of electrons from Cu{sup 2+} donor levels to Cu{sup +} acceptor levels. • Both the violet and blue emissions decrease when Cu-doping concentration is higher than 2 at.%. - Abstract: In recent years, Cu-doped ZnO materials have attracted wide attention due to some unique properties, such as p-type conduction, room-temperature ferromagnetism and plentiful luminescence behavior. In this work, Cu-doped ZnO thin films with different doping levels were prepared by sol–gel method. The structural, morphological features and the composition of the samples were analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS) and energy dispersive X-ray spectroscopy (EDX), respectively. The optical properties were analyzed by the UV–visible transmittance spectra and fluorescence spectra. The Cu-doping in a low concentration does not influence the crystal phase of wurtzite ZnO and has a very small impact on c-axis preferred orientation of ZnO thin films. With the increase of Cu-doping concentration, the Cu ions are gradually changed from dominant Cu{sup +} ions to dominant Cu{sup 2+} ions. Cu-doping in a low concentration caused strong blue-violet emissions in ZnO thin films. The violet emission is attributed to the transition of electrons from the conduction band to Cu{sup +} acceptor levels, and the blue emission is ascribed to the transition of electrons from Cu{sup 2+} donor levels to Cu{sup +} acceptor levels.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Structure and Bonding of 1,2,4-Triazole Thiones Derived from Nitron

The molecular structures of two 1,2,4-triazole thiones derived from Nitron, namely Nitron(S) and Nitron(S) Me , have been determined by single crystal X-ray diffraction. Comparison with the structure of Nitron indicates that the formation of the thiones is accompanied by a shortening of the C–N bond within the 5-membered ring that is opposite to the thione group, and a lengthening of the exocyclic C–N bond. Analysis of the structures of Nitron, Nitron(S) and Nitron(S) Me , together with hypothetical versions in which the phenyl substituents are replaced by hydrogen, indicates that these changes are in accord with bond order differences predicted by natural bond orbital methods. Here, a similar evaluation of the thione groups of Nitron(S) and Nitron(S)Me indicates that the C–S bonds are composed of both covalent and ionic components and are best described by a combination of resonance structures that feature C=S double and C–S single bonds.

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

Stabilizing lithium superoxide formation in lithium-air batteries by Janus chalcogenide catalysts

Solid lithium peroxide (Li 2 O 2 ) is the major discharge product in Li-air batteries. However, the electronically insulating nature of Li 2 O 2 tends to affect the battery’s performance such as the polarization gap and cyclability. On the other hand, lithium superoxide (LiO 2 ), generated through a one-electron transfer process, offers greater electronic conductivity, lower charge transfer resistance, and thus reduced charge potential. Nevertheless, LiO 2 long-term stabilization as a final product remains a significant challenge. Here, in this study, we present the molybdenum (Mo)-based Janus chalcogenide family featuring asymmetric structures as a new generation of cathode catalysts for Li-air batteries. These catalysts demonstrate remarkable efficacy in stabilizing LiO 2 discharge products, even under high current densities of 5000 mA/g (corresponding to 0.5 mA/cm 2 ). Our density functional calculations provide an understanding of why the asymmetric Mo-Janus chalcogenides result in LiO 2 formation whereas the symmetric Mo-dichalcogenides produce Li 2 O 2 as the discharge product. These results pave the way to explore a new generation of advanced catalysts for superoxide-based Li-air batteries.

Chalcogenide↗
DOE OSTI2023

Colloidal Nafion Particles: Are Cylinders Ubiquitous?

Colloidal Nafion morphology plays a critical role in determining the performance of fuel cells and electrolyzers. While small-angle neutron scattering (SANS) studies previously described Nafion in liquid media as dispersed cylinders, the analysis remains nonunique with multiple possible morphological descriptions of the data. Here, using SANS and all-atomistic molecular dynamics, we confirm that Nafion morphology in liquid media differs substantially depending on dispersing agent and dispersion method. H + Nafion dispersed in N-methyl pyrrolidone forms swollen cluster particles with physically cross-linked ionic groups. Scattering profiles from dispersed Nafion membrane have a large structure factor feature not observed for redispersed Nafion D-521. H + Nafion dispersed in water has a highly elongated cylindrical morphology (radius = 10 ± 1.5 Å, height = 358 ± 4.7 Å) with fully dissociated and solvated sulfonic acid groups on the particle wall. In conclusion, these results highlight an important discrepancy between the methods of preparing Nafion dispersions and the use of simplified analysis techniques to describe Nafion morphology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Memristive Ion Channel-Doped Biomembranes as Synaptic Mimics

Solid-state neuromorphic systems based on transistors or memristors have yet to achieve the interconnectivity, performance, and energy efficiency of the brain due to excessive noise, undesirable material properties, and nonbiological switching mechanisms. Here in this work, we demonstrate that an alamethicin-doped, synthetic biomembrane exhibits memristive behavior, emulates key synaptic functions including paired-pulse facilitation and depression, and enables learning and computing. Unlike state-of-the-art devices, our two-terminal, biomolecular memristor features similar structure (biomembrane), switching mechanism (ion channels), and ionic transport modality as biological synapses while operating at considerably lower power. The reversible and volatile voltage-driven insertion of alamethicin peptides into an insulating lipid bilayer creates conductive pathways that exhibit pinched current–voltage hysteresis at potentials above their insertion threshold. Moreover, the synapse-like dynamic properties of the biomolecular memristor allow for simplified learning circuit implementations. Finally, low-power memristive devices based on stimuli-responsive biomolecules represent a major advance toward implementation of full synaptic functionality in neuromorphic hardware.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Reversible Methanolation of Metal Halide Perovskites

The low formation energies inherent in metal halide perovskites enable the structure to be easily broken and remade with little energy input. In this work, we leverage low formation energy to demonstrate 0D/3D structural transformations induced by reversible intercalation of methanol to yield dramatic control of visible light absorption. We identify a methanolated structure that features sheets of 0D isolated [PbI6]4- octahedra separated by MAI and methanol. Methanol and water reversibly displace each other in the 0D complex by controlling the chemical potential of the system via Le Chatelier's principle. The weaker H-bonding of methanol compared to water effectively reduces the complex dissociation temperature from 70 to 50 degrees C, rendering the methanol complex more desirable for an array of next-generation applications spanning low-power-consumption memory to switchable photovoltaics.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Variations in Bedrock and Vegetation Cover Modulate Subsurface Water Flow Dynamics of a Mountainous Hillslope

Abstract Predicting the hydrological response of watersheds to climate disturbances requires a detailed understanding of the processes connecting hillslopes and streams. Using a network of soil moisture and temperature sensors, electrical resistivity tomography monitoring, and a weather station we assess the above and below‐ground processes driving the hydrological response of a hillslope during snowmelt and summer monsoon. The transect covers bedrock and vegetation gradients, with a steep upper part characterized by shallow bedrock, and gentle lower part underlain by colluvium. The main vegetation cover is conifers on the upper, and grass and veratrum on the lower part. Combined with a simplified hydrological model, we show that the thin soil layer of the steep slope acts as a preferential flow path, leading to mostly shallow lateral flow, interrupted by vertical flow, mostly at tree locations, and likely facilitated by flow along fractures and roots. Vertical flow and upstream‐driven groundwater dynamics are prevailing at the colluvium, presenting a very different hydrological behavior compared to the upper part. These results show that subsurface structure and features have a strong control on the hydrological response of a hillslope and that those can create considerably varying hydrological dynamics across small spatial scales.

54 ENVIRONMENTAL SCIENCES↗