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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Scaling up carboxylic acid production from cheese whey and brewery wastewater via methane-arrested anaerobic digestion

In a circular economy, organic waste streams are valuable resources for sustainably producing chemicals and fuels. This study investigates a new methane-arrested anaerobic digestion (MAAD) process that converts high-strength cheese whey and brewery wastewater into carboxylic acids. The process was developed and optimized under various bench-scale semi-continuous (fed-batch) operating conditions (e.g., retention time, organic loading rate, pH, and feed/harvest frequency). The MAAD responses to various control-failure scenarios were also systematically investigated. The highest total acid productivity was 26g/(L liq ·d) with a substrate conversion of 0.79g COD digested /g COD fed at a hydraulic retention time (HRT) of approximately 2 d in a 14-L digester. The most stable conditions for digester operation (HRT 3 d at pH 6.0 and 40°C) were selected for process scale-up to 100gal (~380 L). Semi-continuous, pilot-scale MAAD successfully produced a total acid concentration of 40.6+/-1.1 g/L with 8.1% acetic acid, 45.1% butyric acid, and 44.5% lactic acid. The links between wastewater characteristics, operation mode, digester scale, and microbial community structure were statistically analyzed. The results show genera Sporolactobacillus and Clostridium positively correlate with butyric acid production (Pearson correlation coefficient>0.5). Moreover, four kinetic models were developed and fit to batch MAAD experimental datasets (R 2 >95%) and were successfully applied to predict the total acid production in both bench-and pilot-scale semi-continuous MAADs. In conclusion, this study shows MAAD has the potential for industrial-scale applications and is a robust platform to valorize low- or negative-value waste streams into high-value bioproducts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Two-Dimensional Titanium Carbide (MXene) as Surface-Enhanced Raman Scattering Substrate

Here, noble metal (gold or silver) nanoparticles or patterned films are typically used as substrates for surface-enhanced Raman spectroscopy (SERS). Two-dimensional (2D) carbides and nitrides (MXenes) exhibit unique electronic and optical properties, including metallic conductivity and plasmon resonance in the visible or near-infrared range, making them promising candidates for a wide variety of applications. Herein, we show that 2D titanium carbide, Ti 3 C 2 T x , enhances Raman signal from organic dyes on a substrate and in solution. As a proof of concept, MXene SERS substrates were manufactured by spray-coating and used to detect several common dyes, with calculated enhancement factors reaching ~10 6 . Titanium carbide MXene demonstrates SERS effect in aqueous colloidal solutions, suggesting the potential for biomedical or environmental applications, where MXene can selectively enhance positively charged molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Extraction, purification, and reuse of dyes from coloured polyester textiles

The removal of dyes from coloured textile waste represents a sustainable approach to textile recycling, enabling the recovery of valuable chemical, and material resources that would otherwise be discarded. Up to 40% of the greenhouse gas emissions from textiles originate from dye production, making efficient recycling of dyes a major opportunity for curbing emissions and minimizing waste in both textile manufacturing and recycling. Here, in this study, we demonstrate a process for the extraction, purification, and reuse of mixed dyes from polyester textiles using bio-based, non-hazardous solvents selected on the basis of computational predictions for polyester and dye solubilities. Extracted dyes are purified to individual compounds using counter-current chromatography and analysed via liquid chromatography-mass spectrometry. Post-extraction characterization of the extracted dyes and polymer substrate confirms dye colour retention and polyester fabric property preservation. Dye recycling is demonstrated by redyeing colour-free fabrics with the recovered dyes. We further show a potential process configuration for dye removal using a flow-through reactor packed with a textile substrate. The proposed dye removal process produces reusable, recyclable dyes, and dye-free fabrics, thus facilitating textile recycling.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Final Report on Characterization of Irradiated Sensors and Coupling Adhesive Bonds

This report summarizes characterization via scanning/transmission electron microscopy of the microstructures of the unirradiated and irradiated piezoelectric ultrasonic sensor/aluminum substrate assemblies using four commercially available inorganic coupling adhesives to bond two types of piezoelectric crystals to the substrates. The sample assemblies were irradiated in the PULSTAR reactor at NC State University and ultrasonic data was collected in-situ. ORNL LAMDA Laboratory capabilities were utilized to perform pre- and post-irradiation examination of the sensor assemblies. This document summarizes the PIE performed at the ORNL LAMDA laboratory. The results of the PIE described in this report are consistent with the ultrasonic data collected during irradiation – in particular, high temperature epoxy adhesive seemed to provide the best coupling as compared to the refractory ceramic adhesives. It was determined that the quality of the sensor-adhesive-substrates governed the ultrasonic performance of the sensors. It was also apparent that irradiation did not significantly affect bond quality, which is also supported by the ultrasonic data collected during irradiation. A more comprehensive DOE NSUF Final Report including details of materials selection, sample fabrication, initial ultrasonic testing, irradiation and in-situ ultrasonic testing, positron annihilation lifetime spectroscopy and doppler broadening spectroscopy performed at EPRI and NC State University will be published at the conclusion of the project.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Optical data storage and metallization of polymers

The utilization of polymers as media for optical data storage offers many potential benefits and consequently has been widely explored. New developments in thermal imaging are described, wherein high resolution lithography is accomplished without thermal smearing. The emphasis was on the use of poly(ethylene terephthalate) film, which simultaneously serves as both the substrate and the data storage medium. Both physical and chemical changes can be induced by the application of heat and, thereby, serve as a mechanism for high resolution optical data storage in polymers. The extension of the technique to obtain high resolution selective metallization of poly(ethylene terephthalate) is also described.

Roland, C. M.↗
NASA NTRS1992

An 834 A reflective coating for magnetospheric imagery applications

We have designed a multiple-layer coating which selectively reflects 834 A radiation and suppresses 1025 A and 1216 A radiation. The structure of the coating material consists of a very thin (50-150 A) metal (nickel) layer, on top of a semitransparent dielectric material (magnesium fluoride), over an aluminum substrate. Three such coatings were produced at NASA Goddard Space Flight Center using an existing coating facility which is not optimized for thin coatings. In spite of such fabrication difficulties, we have obtained encouraging results.

Chakrabarti, Supriya↗
DOE OSTI2019

Transmission Electron Microscopy and Electron Energy-Loss Spectroscopy Studies of Hole-Selective Molybdenum Oxide Contacts in Silicon Solar Cells

In this study, substochiometric hole-selective molybdenum oxide (MoO x ) contacts in crystalline silicon (c-Si) solar cells were investigated by a combination of transmission electron microscopy (TEM) and spatially resolved electron energy-loss spectroscopy (SR-EELS). It was observed that a ≈ 4 nm SiO x interlayer grows at the MoO x /c-Si interface during the evaporation of MoO x over a c-Si substrate. SR-EELS analyses revealed the presence of a 1.5 nm diffused MoO x /indium tin oxide (ITO) interface in both as-deposited and annealed samples. Moreover, the presence of a 1 nm thin layer with a lower oxidation state of Mo was detected at the SiO x /MoO x interface in an as-deposited state, which disappears upon annealing. Altogether, it was evident that no hole-blocking interlayer is formed at the MoO x /ITO interface during annealing and homogenization of the MoO x layer takes place during the annealing process. Furthermore, device simulations revealed that efficient hole collection is dependent on MoO x work function and that reduction in the work function of MoO x results in loss of band bending and negatively impacts hole selectivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

Reaction of amorphous Ni-W and Ni-N-W films with substrate silicon

Wiley et al. (1982) have studied sputtered amorphous films of Nb-Ni, Mo-Ni, Si-W, and Si-Mo. Kung et al. (1984) have found that amorphous Ni-Mo films as diffusion barriers between multilayer metallizations on silicon demonstrate good electrical and thermal stability. In the present investigation, the Ni-W system was selected because it is similar to the Ni-Mo system. However, W has a higher silicide formation temperature than Mo. Attention is given to aspects of sample preparation, sample characterization, the interaction between amorphous Ni-W films and Si, the crystallization of amorphous Ni(36)W(64) films on SiO2, amorphous Ni-N-W films, silicide formation and phase separation, and the crystallization of amorphous Ni(36)W(64) and Ni(30)N(21)W(49) layers.

Zhu, M. F.↗
DOE OSTI2019

Elucidating the Role of a Tetrafluoroborate-Based Ionic Liquid at the n-Type Oxide/Perovskite Interface

Halide perovskites are currently one of the most heavily researched emerging photovoltaic materials. Despite achieving remarkable power conversion efficiencies, perovskite solar cells have not yet achieved their full potential, with the interfaces between the perovskite and the charge-selective layers being where most recombination losses occur. In this study, a fluorinated ionic liquid (IL) is employed to modify the perovskite/SnO 2 interface. Using Kelvin probe and photoelectron spectroscopy measurements, it is shown that depositing the perovskite onto an IL-treated substrate results in the crystallization of a perovskite film which has a more n-type character, evidenced by a decrease of the work function and a shift of the Fermi level toward the conduction band. Photoluminescence spectroscopy and time-resolved microwave conductivity are used to investigate the optoelectronic properties of the perovskite grown on neat and IL-modified surfaces and it is found that the modified substrate yields a perovskite film which exhibits an order of magnitude lower trap density than the control. When incorporated into solar cells, we report this interface modification results in a reduction in the current-voltage hysteresis and an improvement in device performance, with the best performing devices achieving steady-state PCEs exceeding 20%.

14 SOLAR ENERGY↗
DOE OSTI2018

Diffusion of aromatic hydrocarbons in hierarchical mesoporous H-ZSM-5 zeolite

Hierarchical mesoporous zeolites exhibit higher catalytic activities and longer lifetime compared to the traditional microporous zeolites due to improved diffusivity of substrate molecules and their enhanced access to the zeolite active sites. Understanding diffusion of biomass pyrolysis vapors and their upgraded products in such materials is fundamentally important during catalytic fast pyrolysis (CFP) of lignocellulosic biomass, since diffusion makes major contribution to determine shape selectivity and product distribution. However, diffusivities of biomass relevant species in hierarchical mesoporous zeolites are poorly characterized, primarily due to the limitations of the available experimental technology. In this work, molecular dynamics (MD) simulations are utilized to investigate the diffusivities of several selected coke precursor molecules, benzene, naphthalene, and anthracene, in hierarchical mesoporous H-ZSM-5 zeolite. The effects of temperature and size of mesopores on the diffusivity of the chosen model compounds are examined. The simulation results demonstrate that diffusion within the microspores as well as on the external surface of mesoporous H-ZSM-5 dominates only at low temperature. At pyrolysis relevant temperatures, mass transfer is essentially conducted via diffusion along the mesopores. Furthermore, the results illustrate the heuristic diffusion model, such as the extensively used Knudsen diffusion, overestimates the diffusion of bulky molecules in the mesopores, thus making MD simulation a powerful and compulsory approach to explore diffusion in zeolites.

09 BIOMASS FUELS↗
DOE OSTI2017

Directed Self-Assembly of Polystyrene- b -poly(propylene carbonate) on Chemical Patterns via Thermal Annealing for Next Generation Lithography

Directed self-assembly (DSA) of block copolymers (BCPs) combines advantages of conventional photolithography and polymeric materials and shows competence in semiconductors and data storage applications. Driven by the more integrated, much smaller and higher performance of the electronics, however, the industry standard polystyrene-block-poly(methyl methacrylate) (PS-b-PMM.A) in DSA strategy cannot meet the rapid development of lithography technology because its intrinsic limited Flory-Huggins interaction parameter (chi). Despite hundreds of block copolymers have been developed, these BCPs systems are usually subject to a trade-off between high chi and thermal treatment, resulting in incompatibility with the current nanomanufacturing fab processes. Here we discover that polystyrene-b-poly(propylene carbonate) (PS-b-PPC) is well qualified to fill key positions on DSA strategy for the next-generation lithography. The estimated chi-value for PS-b-PPC is 0.079, that is, two times greater than PS-b-PMMA (chi = 0.029 at 150 degrees C), while processing the ability to form perpendicular sub-10 nm morphologies (cylinder and lamellae) via the industry preferred thermal-treatment. DSA of lamellae forming PS-b-PPC on chemoepitaxial density multiplication demonstrates successful sub-10 nm long-range order features on large-area patterning for nanofabrication. Pattern transfer to the silicon substrate through industrial sequential infiltration synthesis is also implemented successfully. Compared with the previously reported methods to orientation control BCPs with high chi-value (including solvent annealing, neutral top-coats, and chemical modification), the easy preparation, high chi value, and etch selectivity while enduring thermal treatment demonstrates PS-b-PPC as a rare and valuable candidate for advancing the field of nanolithography.

Yang, Guan-Wen↗
DOE OSTI2023

Strain enhances the activity of molecular electrocatalysts via carbon nanotube supports

Abstract Support-induced strain engineering is useful for modulating the properties of two-dimensional materials. However, controlling strain of planar molecules is technically challenging due to their sub-2 nm lateral size. Additionally, the effect of strain on molecular properties remains poorly understood. Here we show that carbon nanotubes (CNTs) are ideal substrates for inducing optimum properties through molecular curvature. In a tandem-flow electrolyser with monodispersed cobalt phthalocyanine (CoPc) on single-walled CNTs (CoPc/SWCNTs) for CO 2 reduction, we achieve a methanol partial current density of >90 mA cm −2 with >60% selectivity, surpassing wide multiwalled CNTs at 16.6%. We report vibronic and X-ray spectroscopies to unravel the distinct local geometries and electronic structures induced by the strong molecule–support interactions. Grand canonical density functional theory confirms that curved CoPc/SWCNTs improve *CO binding to enable subsequent reduction, whereas wide multiwalled CNTs favour CO desorption. Our results show the important role of SWCNTs beyond catalyst dispersion and electron conduction.

Chemistry↗
DOE OSTI2017

Activity screening of environmental metagenomic libraries reveals novel carboxylesterase families

Metagenomics has made accessible an enormous reserve of global biochemical diversity. In order to tap into this vast resource of novel enzymes, we have screened over one million clones from metagenome DNA libraries derived from sixteen different environments for carboxylesterase activity and identified 714 positive hits. Here, we validated the esterase activity of 80 selected genes, which belong to 17 different protein families including unknown and cyclase-like proteins. Three metagenomic enzymes exhibited lipase activity, and seven proteins showed polyester depolymerization activity against polylactic acid and polycaprolactone. Detailed biochemical characterization of four new enzymes revealed their substrate preference, whereas their catalytic residues were identified using site-directed mutagenesis. The crystal structure of the metal-ion dependent esterase MGS0169 from the amidohydrolase superfamily revealed a novel active site with a bound unknown ligand. Thus, activity-centered metagenomics has revealed diverse enzymes and novel families of microbial carboxylesterases, whose activity could not have been predicted using bioinformatics tools.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

The surface chemistry of the atomic layer deposition of metal thin films

Abstract In this perspective we discuss the progress made in the mechanistic studies of the surface chemistry associated with the atomic layer deposition (ALD) of metal films and the usefulness of that knowledge for the optimization of existing film growth processes and for the design of new ones. Our focus is on the deposition of late transition metals. We start by introducing some of the main surface-sensitive techniques and approaches used in this research. We comment on the general nature of the metallorganic complexes used as precursors for these depositions, and the uniqueness that solid surfaces and the absence of liquid solvents bring to the ALD chemistry and differentiate it from what is known from metalorganic chemistry in solution. We then delve into the adsorption and thermal chemistry of those precursors, highlighting the complex and stepwise nature of the decomposition of the organic ligands that usually ensued upon their thermal activation. We discuss the criteria relevant for the selection of co-reactants to be used on the second half of the ALD cycle, with emphasis on the redox chemistry often associated with the growth of metallic films starting from complexes with metal cations. Additional considerations include the nature of the substrate and the final structural and chemical properties of the growing films, which we indicate rarely retain the homogeneous 2D structure often aimed for. We end with some general conclusions and personal thoughts about the future of this field.

Materials Science↗
DOE OSTI2024

Electrochemical Amyloid β Immunosensor Based on Ti 3 C 2 T x MXene Nanosheets

Alzheimer’s disease (AD) is the most common neurodegenerative disease and a major health-care problem. More than 55 million people in the world, including 6.7 million Americans, are living with AD. As AD is characterized by production and deposition of β-amyloid peptide (Aβ) in the brain, Aβ is considered as a potential biomarker for diagnosing and monitoring the progression of AD. Nanomaterials-based electrochemical immunosensor is one of the most promising methods for early diagnosis and therapeutic of AD, due to its highly selective, sensitive, and label-free advantages. The graphene-like two-dimensional (2D) MXene nanosheets have shown large surface area, good conductivity, biocompatibility, high ion transport, and low diffusion barrier, attracting attention in recent years to use it as the nanomaterial substrate for biosensor fabrication. In this paper, we presented a Ti 3 C 2 T x MXene nanosheets-based electrochemical immunosensor to detect trace Aβ for early diagnosis of AD.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Crystal structures of the methyltransferase and helicase from the ZIKA 1947 MR766 Uganda strain

Two nonstructural proteins encoded by Zika virus strain MR766 RNA, a methyltransferase and a helicase, were crystallized and their structures were solved and refined at 2.10 and 2.01 Å resolution, respectively. The NS5 methyltransferase contains a bound S -adenosyl-L-methionine (SAM) co-substrate. The NS3 helicase is in the apo form. Comparison with published crystal structures of the helicase in the apo, nucleotide-bound and single-stranded RNA (ssRNA)-bound states suggests that binding of ssRNA to the helicase may occur through conformational selection rather than induced fit.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Impact of thermodynamic fluctuations and pattern size on the nucleation behavior during area selective deposition

In this work, the authors explore the impact that thermodynamic fluctuations have on the spontaneous appearance of defects during area selective deposition on patterned surfaces that are fully covered by adsorbates under local thermodynamic equilibrium, such as self-assembled monolayers. By using a simple lattice gas model for the adsorbed monolayer, the authors were able to track the spontaneous formation of defects in the monolayer as a function of the pattern width. The results indicate that, for pattern widths of the order of tens of nanometers, roughening effects at the pattern edge can be the leading source for the spontaneous appearance of nucleation defects. This leads to an enhancement of the density of defects that can be up to three orders of magnitude higher than those expected in uniform (not patterned) surfaces. The model also predicts a density of defects that is inversely proportional to the pattern width. Finally, if the dynamic nucleation of defects during area selective deposition is driven by thermodynamic fluctuations, the model predicts that the nucleation rate should be proportional to the total precursor fluency and independent of purge times. Moreover, a tight confinement of the monolayer through a high quality smooth interface in the patterned substrate and strong cohesive interactions between adsorbates should each contribute to a reduction of the overall defect density.

36 MATERIALS SCIENCE↗
DOE OSTI2017

High-Throughput Screening Assay for Laccase Engineering toward Lignosulfonate Valorization

Lignin valorization is a pending issue for the integrated conversion of lignocellulose in consumer goods. Lignosulfonates (LS) are the main technical lignins commercialized today. However, their molecular weight should be enlarged to meet application requirements as additives or dispersing agents. Oxidation of lignosulfonates with fungal oxidoreductases, such as laccases, can increase the molecular weight of lignosulfonates by the cross-linking of lignin phenols. To advance in this direction, we describe here the development of a high-throughput screening (HTS) assay for the directed evolution of laccases, with lignosulfonate as substrate and the Folin-Ciocalteau reagent (FCR), to detect the decrease in phenolic content produced upon polymerization of lignosulfonate by the enzyme. Once the reaction conditions were adjusted to the 96-well-plate format, the enzyme for validating the assay was selected from a battery of high-redox-potential laccase variants functionally expressed in S. cerevisiae (the preferred host for the directed evolution of fungal oxidoreductases). The colorimetric response (absorbance at 760 nm) correlated with laccase activity secreted by the yeast. The HTS assay was reproducible (coefficient of variation (CV) = 15%) and sensitive enough to detect subtle differences in activity among yeast clones expressing a laccase mutant library obtained by error-prone PCR (epPCR). As a result, the method is therefore feasible for screening thousands of clones during the precise engineering of laccases toward valorization of lignosulfonates.

09 BIOMASS FUELS↗