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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Probing the Role of Interlayer Coupling and Coulomb Interactions on Electronic Structure in Few-Layer MoSe 2 Nanostructures

Despite the weak nature of interlayer forces in transition metal dichalcogenide (TMD) materials, their properties are highly dependent on the number of layers in the few-layer two-dimensional (2D) limit. Here, we present a combined scanning tunneling microscopy/spectroscopy and GW theoretical study of the electronic structure of high quality single- and few-layer MoSe2 grown on bilayer graphene. We find that the electronic (quasiparticle) bandgap, a fundamental parameter for transport and optical phenomena, decreases by nearly one electronvolt when going from one layer to three due to interlayer coupling and screening effects. Our results paint a clear picture of the evolution of the electronic wave function hybridization in the valleys of both the valence and conduction bands as the number of layers is changed. This demonstrates the importance of layer number and electron-electron interactions on van der Waals heterostructures and helps to clarify how their electronic properties might be tuned in future 2D nanodevices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Multiscale Electrochemomechanics Interaction and Degradation Analytics of Sn Electrodes for Sodium-Ion Batteries

Sodium-ion batteries have emerged as a strong contender among the beyond lithium-ion chemistries due to elemental abundance and the low cost of sodium. Tin (Sn) is a promising alloying electrode with high capacity, redox reversibility, and earth abundance. Tin electrodes, however, undergo a series of intermediate reactions exhibiting multiple voltage plateaus upon sodiation/desodiation. Phase transformations related to incomplete sodiation in tin during cycling, in the presence of a frail solid electrolyte interphase layer, can quickly weaken the structural stability. The structural dynamics and reactivity of the electrode/electrolyte interface, being further dependent on the size and morphology of the active material particle in the presence of different electrolytes, dictate the electrode degradation and survivability during cycling. Here, we paint a comprehensive picture of the underpinnings of the electrochemical and mechanics coupling and electrode/electrolyte interfacial interactions in alloying Sn electrodes. We elicit the fundamental role of electrode/electrolyte complexations in the Sn electrode structure-property-performance relationship based on multimodal analytics, including electrochemical, microscopy, and tomography analyses.

25 ENERGY STORAGE↗
DOE OSTI2011

Canadian House Dust Study: Lead Bioaccessibility and Speciation

Vacuum samples were collected from 1025 randomly selected urban Canadian homes to investigate bioaccessible Pb (Pb{sub S}) concentrations in settled house dust. Results indicate a polymodal frequency distribution, consisting of three lognormally distributed subpopulations defined as 'urban background' (geomean 58 {micro}g g{sup -1}), 'elevated' (geomean 447 {micro}g g{sup -1}), and 'anomalous' (geomean 1730 {micro}g g{sup -1}). Dust Pb{sub S} concentrations in 924 homes (90%) fall into the 'urban background' category. The elevated and anomalous subpopulations predominantly consist of older homes located in central core areas of cities. The influence of house age is evidenced by a moderate correlation between house age and dust Pb{sub S} content (R{sup 2} = 0.34; n = 1025; p < 0.01), but it is notable that more than 10% of homes in the elevated/anomalous category were built after 1980. Conversely, the benefit of home remediation is evidenced by the large number of homes (33%) in the background category that were built before 1960. The dominant dust Pb species determined using X-ray Absorption Spectroscopy were as follows: Pb carbonate, Pb hydroxyl carbonate, Pb sulfate, Pb chromate, Pb oxide, Pb citrate, Pb metal, Pb adsorbed to Fe- and Al-oxyhydroxides, and Pb adsorbed to humate. Pb bioaccessibility estimated from solid phase speciation predicts Pb bioaccessibility measured using a simulated gastric extraction (R{sup 2} = 0.85; n = 12; p < 0.0001). The trend toward increased Pb bioaccessibility in the elevated and anomalous subpopulations (75% {+-} 18% and 81% {+-} 8%, respectively) compared to background (63% {+-} 18%) is explained by the higher proportion of bioaccessible compounds used as pigments in older paints (Pb carbonate and Pb hydroxyl carbonate). This population-based study provides a nationally representative urban baseline for applications in human health risk assessment and risk management.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Stability Frontiers in the AM 6 X 6 Kagome Metals: The Ln Nb 6 Sn 6 ( Ln :Ce–Lu,Y) Family and Density-Wave Transition in LuNb 6 Sn 6

The kagome motif is a versatile platform for condensed matter physics, hosting rich interactions between magnetic, electronic, and structural degrees of freedom. In recent years, the discovery of a charge density wave (CDW) in the AV 3 Sb 5 superconductors and structurally-derived bond density waves (BDW) in FeGe and ScV 6 Sn 6 have stoked the search for new kagome platforms broadly exhibiting density wave (DW) transitions. Here, in this work, we evaluate the known AM 6 X 6 chemistries and construct a stability diagram that summarizes the structural relationships among the >125 member family. Subsequently, we introduce our discovery of the broader LnNb 6 Sn 6 (Ln:Ce–Nd,Sm,Gd–Tm,Lu,Y) family of kagome metals and an analogous DW transition in LuNb 6 Sn 6 . Our X-ray scattering measurements clearly indicate a (1/3, 1/3, 1/3) ordering wave vector (√$\bar{3}$ x √$\bar{3}$ x $3$ superlattice) and diffuse scattering on half-integer L-planes. Our analysis of the structural data supports the “rattling mode” DW model proposed for ScV 6 Sn 6 and paints a detailed picture of the steric interactions between the rare-earth filler element and the host Nb–Sn kagome scaffolding. We also provide a broad survey of the magnetic properties within the HfFe 6 Ge 6 -type LnNb 6 Sn 6 members, revealing a number of complex antiferromagnetic and metamagnetic transitions throughout the family. This work integrates our new LnNb 6 Sn 6 series of compounds into the broader AM 6 X 6 family, providing new material platforms and forging a new route forward at the frontier of kagome metal research.

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

Where Are White Roofs More Effective in Cooling the Surface?

Solar reflective roofs (also called white or cool roofs) are a common heat mitigation strategy. By reflecting more sunlight than regular roofs, cool roofs experience lower surface temperatures and produce less heating of the surrounding air. The effectiveness of cool roofs, quantified by the surface temperature difference between cool roofs and regular roofs ??????, is known to vary spatially. A common perception is that ?????? is controlled by solar radiation that reaches the roof surface. Here we use an Earth System Model and a surface energy balance model to show that the spatial variability of ??????, when normalized by the albedo difference between cool roofs and regular roofs (????), is in fact more controlled by an energy distribution factor that encodes the efficiencies of surface energy balance components in dissipating heat. Our results suggest that painting the roof white is more effective in reducing the roof surface temperature when the roof has less water holding capacity and smaller thermal admittance and is located in places with more solar radiation, less precipitation, and lower wind speed.

Wang, Linying↗
DOE OSTI2019

Copper-containing glass ceramic with high antimicrobial efficacy

Hospital acquired infections (HAIs) and the emergence of antibiotic resistant strains are major threats to human health. Copper is well known for its high antimicrobial efficacy, including the ability to kill superbugs and the notorious ESKAPE group of pathogens. We sought a material that maintains the antimicrobial efficacy of copper while minimizing the downsides – cost, appearance and metallic properties – that limit application. Here we describe a copper-glass ceramic powder as an additive for antimicrobial surfaces; its mechanism is based on the controlled release of copper (I) ions (Cu 1+ ) from cuprite nanocrystals that form in situ in the water labile phase of the biphasic glass ceramic. Latex paints containing copper-glass ceramic powder exhibit ≥99.9% reduction in S. aureus, P. aeruginosa, K. aerogenes and E. Coli colony counts when evaluated by the US EPA test method for efficacy of copper-alloy surfaces as sanitizer, approaching that of benchmark metallic copper.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Identification of triacylglycerol remodeling mechanism to synthesize unusual fatty acid containing oils

Abstract Typical plant membranes and storage lipids are comprised of five common fatty acids yet over 450 unusual fatty acids accumulate in seed oils of various plant species. Plant oils are important human and animal nutrients, while some unusual fatty acids such as hydroxylated fatty acids (HFA) are used in the chemical industry (lubricants, paints, polymers, cosmetics, etc.). Most unusual fatty acids are extracted from non-agronomic crops leading to high production costs. Attempts to engineer HFA into crops are unsuccessful due to bottlenecks in the overlapping pathways of oil and membrane lipid synthesis where HFA are not compatible. Physaria fendleri naturally overcomes these bottlenecks through a triacylglycerol (TAG) remodeling mechanism where HFA are incorporated into TAG after initial synthesis. TAG remodeling involves a unique TAG lipase and two diacylglycerol acyltransferases (DGAT) that are selective for different stereochemical and acyl-containing species of diacylglycerol within a synthesis, partial degradation, and resynthesis cycle. The TAG lipase interacts with DGAT1, localizes to the endoplasmic reticulum (with the DGATs) and to puncta around the lipid droplet, likely forming a TAG remodeling metabolon near the lipid droplet-ER junction. Each characterized DGAT and TAG lipase can increase HFA accumulation in engineered seed oils.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Electrochemical formation of bis(fluorosulfonyl)imide-derived solid-electrolyte interphase at Li-metal potential

Lithium bis(fluorosulfonyl)imide-based liquid electrolytes are promising for realizing high Coulombic efficiency and long cycle life for next-generation Li-metal batteries. However, the role of anions in the formation of solid-electrolyte interphase remains unclear. Herein, we combine electrochemical analyses and X-ray photoelectron spectroscopy measurements both with and without sample washing, together with computational simulations, to propose the reaction pathways of electrolyte decomposition and correlate the interphase component solubility with the efficacy of passivation. Additionally, we discovered that not all the products derived from interphase-forming reactions were incorporated into the resulting passivation layer, with a notable portion present in the liquid electrolyte. Further, we found that the high-performance electrolytes can afford a sufficiently passivating interphase with minimized electrolyte decomposition, by incorporating more anion-decomposition products. Overall, this work presents a systematic approach of coupling electrochemical and surface analyses to paint a comprehensive picture of solid-electrolyte interphase formation, while identifying key attributes of high-performance electrolytes for guiding future designs.

Yu, Weilai [Stanford University, CA (United States↗
DOE OSTI2023

Envisioning a future with climate change

Climate change research and assessments, including the most recent IPCC report, paint an increasingly dire picture of the future. However, though, the assumption that the future will be worse than the present may be wrong for many aspects of human well-being.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Young inversion with multiple linked QTLs under selection in a hybrid zone

Fixed chromosomal inversions can reduce gene flow and promote speciation in two ways: by suppressing recombination and by carrying locally favoured alleles at multiple loci. However, it is unknown whether favoured mutations slowly accumulate on older inversions or if young inversions spread because they capture pre-existing adaptive quantitative trait loci (QTLs). By genetic mapping, chromosome painting and genome sequencing, we have identified a major inversion controlling ecologically important traits in Boechera stricta. The inversion arose since the last glaciation and subsequently reached local high frequency in a hybrid speciation zone. Furthermore, the inversion shows signs of positive directional selection. To test whether the inversion could have captured existing, linked QTLs, we crossed standard, collinear haplotypes from the hybrid zone and found multiple linked phenology QTLs within the inversion region. These findings provide the first direct evidence that linked, locally adapted QTLs may be captured by young inversions during incipient speciation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Calendar aging of silicon-containing batteries

High-energy batteries for automotive applications require cells to endure well over a decade of constant use, making their long-term stability paramount. This is particularly challenging for emerging cell chemistries containing silicon, for which extended testing information is scarce. While much of the research on silicon anodes has focused on mitigating the consequences of volume changes during cycling, comparatively little is known about the time-dependent degradation of silicon-containing batteries. Here we discuss a series of studies on the reactivity of silicon that, collectively, paint a picture of how the chemistry of silicon exacerbates the calendar aging of lithium-ion cells. Assessing and mitigating this shortcoming should be the focus of future research to fully realize the advantages of this battery technology.

25 ENERGY STORAGE↗
DOE OSTI2016

Microstructural characterization of random packings of cubic particles

Understanding the properties of random packings of solid objects is of critical importance to a wide variety of fundamental scientific and practical problems. The great majority of the previous works focused, however, on packings of spherical and sphere-like particles. We report the first detailed simulation and characterization of packings of non-overlapping cubic particles. Such packings arise in a variety of problems, ranging from biological materials, to colloids and fabrication of porous scaffolds using salt powders. In addition, packing of cubic salt crystals arise in various problems involving preservation of pavements, paintings, and historical monuments, mineral-fluid interactions, CO 2 sequestration in rock, and intrusion of groundwater aquifers by saline water. Not much is known, however, about the structure and statistical descriptors of such packings. We have developed a version of the random sequential addition algorithm to generate such packings, and have computed a variety of microstructural descriptors, including the radial distribution function, two-point probability function, orientational correlation function, specific surface, and mean chord length, and have studied the effect of finite system size and porosity on such characteristics. Here, the results indicate the existence of both spatial and orientational long-range order in the packing, which is more distinctive for higher packing densities.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Design colloidal particle morphology and self-assembly for coating applications

The progressive replacement of organic solvent-based coatings by waterborne latex polymer coatings has substantially renovated the coating industry, and generated huge environmental and health benefits. Today, on top of the continuing demand for higher performance and lower costs, the coating industry faces tighter regulation and higher sustainability standards. In addition, the new waterborne coatings have created unique opportunities and challenges in terms of fundamental understanding and research development. To address these challenges, polymer latex binders with diverse particle morphologies have been developed to improve coating performance. Furthermore, colloidal self-assembly has been utilized to help manufacturers make better paint with less cost. In this report, we review the recent progress in both fundamental study and industrial application in the context of developing new generation architectural coating materials. We introduce the basic concepts in coating materials and showcase several key technologies that have been implemented to improve coating performance. As a result, these technologies also represent the most important considerations in architectural coating design.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Local electronic structure of the peptide bond probed by resonant inelastic soft X-ray scattering

The local valence orbital structure of solid glycine, diglycine, and triglycine is studied using soft X-ray emission spectroscopy (XES), resonant inelastic soft X-ray scattering (RIXS) maps, and spectra calculations based on density-functional theory. Using a building block approach, the contributions of the different functional groups of the peptides are separated. Cuts through the RIXS maps furthermore allow monitoring selective excitations of the amino and peptide functional units, leading to a modification of the currently established assignment of spectral contributions. The results thus paint a new-and-improved picture of the peptide bond, enhance the understanding of larger molecules with peptide bonds, and simplify the investigation of such molecules in aqueous environment.

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

Sol–gel based synthesis and enhanced processability of MAX phase Cr 2 GaC

MAX phases are typically prepared by high-temperature (oftentimes high-pressure) solid-state methods. In this paper, we report a new wet chemistry based synthesis technique starting from an aqueous solution of metal nitrates and citric acid to prepare MAX phase Cr 2 GaC. This solution-processable precursor mixture has the potential to be easily scaled, painted, printed or fabricated onto supports – an advantage that is demonstrated by the formation of hollow carbon microspheres which are decorated with Cr 2 GaC particles. A small amount of chromium carbide and oxide remains in the product, however, the amount of the latter can be reduced by a larger excess in citric acid in the precursor gel. The transformation mechanism of the initial amorphous gel into highly crystalline and anisotropic MAX phase particles is investigated by detailed thermal analysis. Transmission electron microscopy studies are conducted to elucidate the microstructure of the sol–gel-prepared particles as well as the decorated hollow microspheres. From magnetic susceptibility measurements, the density of states at the Fermi level is deduced reflecting the quality of the Pauli paramagnet Cr 2 GaC.

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

Photo-driven growth of a monolayer of platinum spherical-nanocrowns uniformly coated on a membrane toward fuel cell applications

Membrane electrode assemblies (MEAs) serve as the core units of polymer electrolyte membrane fuel cells (PEMFCs) and are regularly fabricated by painting a slurry of commercial Pt/C onto a membrane, leading to thick and disordered electrocatalyst layers (CLs). Herein, we report a photo-driven fabrication of MEAs with ultra-thin and ordered CLs by growing a monolayer of dendritic platinum spherical nanocrowns onto each side of a photocatalyst-modified membrane. This approach allows us to control the thickness and platinum loading of ordered CLs by simply varying the concentration of the platinum precursor under tungsten light irradiation. The resultant MEAs exhibit an excellent fuel cell power density of 1.01 ± 0.05 W cm –2 at a platinum loading of 53 ± 1.5 μg cm cathode –2 . Furthermore, this exceptional activity likely arises from the nanostructured platinum crowns, efficient mass transport, and uniform reaction rate in the ultrathin (59 ± 12 nm thick) and ordered CLs according to electrochemical and theoretical investigations.

25 ENERGY STORAGE↗
DOE OSTI2012

Studies of sintered MRE-Fe-B magnets by DyF 3 addition or diffusion treatment (MRE = Nd + Y + Dy)

Sintered MRE 2 (Fe, Co) 14 B magnets by DyF 3 blending or diffusion treatment were investigated. “Base-line” magnets with a thickness of 1.5 mm were coated (painted) with DyF 3 powder and heated to promote Dy diffusion at 800–900 °C, i.e., “Diffusion” magnets. For comparison, the magnet alloy powder for making Base-line magnets was blended with 3–5 wt.% DyF 3 powder and then made into sintered magnets, i.e., “Blended” magnets. The coercivity and (BH) max of Base-line magnets were 9.7 kOe and 32.7 MGOe, respectively, while the coercivity of Diffusion magnets was increased to 15 kOe and the (BH) max was nearly unchanged at 31.4 MGOe. Blended magnets with 5 wt% DyF 3 had a coercivity of 17.8 kOe, but the (BH) max was reduced to 25.4 MGOe, due to a considerable reduction of remanence. The total Dy concentration in the MRE 2 (Fe, Co) 14 B Diffusion magnets with a β value of -0.5%/°C was 5.3 wt%, while typical commercial Nd-based Nd 2 Fe 14 B magnets require at least 7.5 wt% Dy to achieve the same β. Therefore, the MRE 2 (Fe, Co) 14 B Diffusion magnets exhibited better temperature stability.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Effect of filament supports on emissive probe measurements

We have constructed an emissive probe with a thin tungsten filament spot-welded across two nickel wires insulated with ceramic paint. We show that the ceramic supports covering the nickel wires have a large effect on the potential measurements in low-density plasmas. It is found that the potential measured by the emissive probe is more negative than the potential derived from a Langmuir probe current-voltage (I-V) characteristic curve when the plasma density is so low that the emitting filament remains immersed in the sheaths of the ceramic supports. The length of the filament L needs to be larger than about 2 Debye lengths (L > 2{lambda}{sub De}) in order to avoid the influence of the ceramic supports and to achieve reliable plasma potential measurements using emissive probes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗