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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 271 records · Page 15

All sources NASA NTRS DOE OSTI

DOE OSTI2014

Pnp gene modification for improved xylose utilization in Zymomonas

The endogenous pnp gene encoding polynucleotide phosphorylase in the Zymomonas genome was identified as a target for modification to provide improved xylose utilizing cells for ethanol production. The cells are in addition genetically modified to have increased expression of ribose-5-phosphate isomerase (RPI) activity, as compared to cells without this genetic modification, and are not limited in xylose isomerase activity in the absence of the pnp modification.

09 BIOMASS FUELS↗

DOE OSTI2015

Alteration and modulation of protein activity by varying post-translational modification

Embodiments of the invention include methods of altering the enzymatic activity or solubility of an extremophilic enzyme or post-translationally modifying a protein of interest via using isolated or partially purified glycosyltransferases and/or post-translational modification proteins, extracts of cells comprising glycosyltransferases and/or post-translational modification proteins, and/or in cells comprising one or more glycosyltransferases and/or post-translational modification proteins.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

Alteration and modulation of protein activity by varying post-translational modification

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Organic light emitting diode with surface modification layer

An organic light emitting diode includes a substrate having a surface modification layer. The surface modification layer includes a first film and a second film. The first film has a coefficient of expansion that is greater than the coefficient of expansion for the second film. The second film has ridges and troughs. A method of making a surface modification layer. A first film is formed over a substrate. The coated substrate is heated to expand the first film to a second surface area. A second film is formed over the expanded first film. The substrate coated with the first and second films is cooled to form ridges and troughs in the second film.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Electric actuator modification on a turbine driven feed pump at Calvert Cliffs nuclear power plant - 296

Feedwater systems are a leading contributor to unit SCRAMs as indicated by the 2015 INPO data, where 9 of the 51 SCRAMs recorded were a result of feedwater issues. Digital feedwater control systems and enhanced feed pump control modifications can greatly improve performance and control of the plant feedwater systems and help drive down the potential for reactivity management events and unit SCRAMs. Westinghouse has a strong background in the implementation of digital feedwater control systems, and in planning for a recently completed feedwater control system upgrade at Calvert Cliffs, the Westinghouse team worked with Calvert Cliffs to design a solution to a number of common operational issues. Primarily, improving feedwater control over the entire operating range, eliminating single points of vulnerability (SPV) in the feedwater/feed pump systems and eliminating operational issues with the feed pump steam admission valve hydraulic control oil system. A robust first-of-a-kind design and implementation program was undertaken to split the existing hydraulic valve gear actuator with separate electric actuators. Westinghouse worked with Calvert Cliffs and Emerson Process Management (EPM) to install and commission General Electric (GE) feed pump turbines with separate electric actuators for the high-pressure (HP) and low-pressure (LP) steam admission valves. This successful mechanical and control modification was a first for both the nuclear and non-nuclear power generation industries. Westinghouse is working with a number of other utilities to implement similar modifications for PWR and BWR feed pump applications. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

Performance improvement of proton exchange membrane water electrolysis by surface modification of porous transport layers

Proton exchange membrane water electrolysis (PEMWE) is a promising option for hydrogen production from a variety of energy sources. Cost-effective production of hydrogen with PEMWE requires reduction of costly precious metals as well as optimization of the components and interfaces in the cell. The interface between the platinum-coated titanium porous transport layer (PTL) and catalyst layer (CL) significantly impacts the performance of the electrolyzer cell. Here, we report on two PTL modification methods, mechanical abrasion and chemical etching, which we find improve PEMWE performance by lowering the resistance of the PTL/CL interface. The PTL surface modifications enabled performance improvements up to 77 mV at 4 A cm −2 and reduction of the high frequency resistance, demonstrating that the resistance of the PTL/CL interface is a significant factor in the cell performance. The PTL surface roughness was varied using abrasive materials ranging from 0.1 to 140 μm in grain sizes and chemical etching was found to also increase the surface roughness. The surface roughness was quantified using confocal laser microscopy and the surface oxidation was measured using X-ray photoemission spectroscopy. These results demonstrate that both increasing surface roughness and oxide removal contribute to lowering the PTL/CL interfacial resistance and increasing cell performance.

08 HYDROGEN↗

DOE OSTI2019

Simultaneously Dual Modification of Ni-Rich Layered Oxide Cathode for High-Energy Lithium-Ion Batteries

A critical challenge in the commercialization of layer-structured Ni-rich materials is the fast capacity drop and voltage fading due to the interfacial instability and bulk structural degradation of the cathodes during battery operation. Herein, with the guidance of theoretical calculations of migration energy difference between La and Ti from the surface to the inside of LiNi 0.8 Co 0.1 Mn 0.1 O 2 , for the first time, Ti-doped and La 4 NiLiO 8 -coated LiNi 0.8 Co 0.1 Mn 0.1 O 2 cathodes are rationally designed and prepared, via a simple and convenient dual-modification strategy of synchronous synthesis and in situ modification. Impressively, the dual modified materials show remarkably improved electrochemical performance and largely suppressed voltage fading, even under exertive operational conditions at elevated temperature and under extended cutoff voltage. Further studies reveal that the nanoscale structural degradation on material surfaces and the appearance of intergranular cracks associated with the inconsistent evolution of structural degradation at the particle level can be effectively suppressed by the synergetic effect of the conductive La 4 NiLiO 8 coating layer and the strong Ti—O bond. The present work demonstrates that our strategy can simultaneously address the two issues with respect to interfacial instability and bulk structural degradation, and it represents a significant progress in the development of advanced cathode materials for high-performance lithium-ion batteries.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Modification of the Coordination Environment of Active Sites on MoC for High-Efficiency CH 4 Production

Modulating the coordination environment of active sites on catalyst surfaces is crucial to developing effective catalysts and controlling catalysis, but it is highly challenging. Guided by our first-principles calculations, we experimentally accomplish the modification of the coordination environment of active sites on MoC nanoparticle surfaces by anchoring pyridinic N atom rings of holey graphene on Mo atoms. The rings produce electrostatic forces that enable the tuning of the Mo sites' affinity to reaction intermediates, which passivates Mo hollow sites, activates Mo top sites and reduces the over-adsorption of OH on the Mo active sites, as predicted by the calculations. The atomic-level modification is well confirmed by atomic-resolution imaging, high-resolution electron tomography, synchrotron soft X-ray spectroscopy and operando electrochemical infrared spectroscopy. Consequently, the Faradaic efficiency for CO 2 reduction to CH 4 is enhanced from 16% to 89%, a record high efficiency so far, in aqueous electrolyte. Meantime, it also exhibits a negligible activity loss over 50 h.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2015

In Situ Modification of Metal-Organic Frameworks in Mixed-Matrix Membranes

Processable films of metal–organic frameworks (MOFs) have been long sought to advance the application of MOFs in various technologies from separations to catalysis. Herein, MOF–polymer mixed-matrix membranes (MMMs) are described, formed on several substrates using a wide variety of MOF materials. These MMMs can be delaminated from their substrates to create free-standing MMMs that are mechanically stable and pliable. The MOFs in these MMMs remain highly crystalline, porous, and accessible for further chemical modification through postsynthetic modification (PSM) and postsynthetic exchange (PSE) processes. Lastly, overall, the findings here demonstrate a versatile approach to preparing stable functional MMMs that should contribute significantly to the advancement of these materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Recent Advances in Iron Oxide Nanoparticles (IONPs): Synthesis and Surface Modification for Biomedical Applications

In recent years, extensive researches were devoted to iron oxide nanoparticles (IONPs), including magnetite (Fe{sub 3}O{sub 4}) and maghemite (γ-Fe{sub 2}O{sub 3}), due to their low toxicity and cost, in addition to their unique physicochemical and magnetic properties. In this review, we present a brief introduction on IONPs in terms of classification and properties. Because the synthesis approach and surface modification are found to be key factors for better control of particle morphology and shape, as well as to produce monodispersed IONPs, which have direct influence on their properties and applications, particular emphasis will be given to the chemical synthesis methods and surface modifications by several organic materials such as polyvinylpyrrolidone (PVP), chitosan, and cetyltrimethylammonium bromide (CTAB). Recent trends and future prospects in this research field are also discussed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2019

Effect of Carbon Fiber Surface Modification on the Mechanical Properties of Carbon-Fiber-Reinforced Ultrahigh-Molecular-Weight Polyethylene Composite

In this paper, the surface properties and morphologies of the concentrated nitric acid (HNO{sub 3})-modified carbon fiber (CF) were characterized by XPS, SEM, and contact angle goniometer, respectively. The results showed that both the oxygen-containing functional groups content and the surface roughness of concentrated HNO{sub 3}-modified CF significantly increased. The contact angle of concentrated HNO{sub 3}-modified CF was obviously lower than that of unmodified CF. Studies on the mechanical properties of carbon-fiber-reinforced ultrahigh-molecular-weight polyethylene (CF/UHMWPE) composite revealed that the stress–strain behavior gradually changed from nonlinear to linear relationship with the rise of CF content in UHMWPE matrix. Both the tensile strength and modulus increased with the rise of CF content. Conversely, as the CF content in UHMWPE matrix is increasing, the flexural strength and modulus increased first and then decreased. The flexural strength and modulus of CF/UHMWPE composite with 30 wt.% CF content reached the maximum value of 157.61 MPa and 9.82 GPa, respectively. Moreover, the CF surface modification and CF content have a synergistic effect on the tensile and flexural mechanical properties of the CF/UHMWPE composite. The influence of CF modification on the tensile and flexural mechanical properties of the composite became more and more obvious with the rise of CF content.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Effect of Through-Thickness Friction Stir Processing Parameters on Weld Repair and Modification of Fusion-Welded AA6061 Aluminum Alloy

Through-thickness friction stir processing was successfully carried out for microstructure modification and elimination of fusion defects of the gas metal arc welds by applying the process on as-welded joints. Variation in rotational speed from 750 to 1050 rpm and traveling speed from 50 to 200 mm/min resulted in minor changes (approximately 1 µm) in the grain size of nugget zone, while this variation in elongation result was up to 40%. The hardness profile, the width of softening zone, minimum hardness and fracture location also changed for different processing conditions. Furthermore, the defects were vanished efficiently across the welds profile by this method. The results also verified the geometric dynamic recrystallization phenomena as a dominant mechanism of microstructural modification.

36 MATERIALS SCIENCE↗

DOE OSTI2014

The role of electronic energy loss in ion beam modification of materials

The interaction of energetic ions with solids results in energy loss to both atomic nuclei and electrons in the solid. In this article, recent advances in understanding and modeling the additive and competitive effects of nuclear and electronic energy loss on the response of materials to ion irradiation are reviewed. Experimental methods and large-scale atomistic simulations are used to study the separate and combined effects of nuclear and electronic energy loss on ion beam modification of materials. The results demonstrate that nuclear and electronic energy loss can lead to additive effects on irradiation damage production in some materials; while in other materials, the competitive effects of electronic energy loss leads to recovery of damage induced by elastic collision cascades. Lastly, these results have significant implications for ion beam modification of materials, non-thermal recovery of ion implantation damage, and the response of materials to extreme radiation environments.

36 MATERIALS SCIENCE↗

DOE OSTI2017

A covalent modification for graphene by adamantane groups through two-step chlorination-Grignard reactions

Chemical modification of graphene is a promising approach to manipulate its properties for its end applications. Herein we designed a two-step route through chlorination-Grignard reactions to covalently decorate the surface of graphene with adamantane groups. The chemically modified graphene was characterized by Raman spectroscopy, atomic force microscopy, and X-ray photoelectron spectroscopy. Chlorination of graphene occurred rapidly, and the substitution of chlorine atoms on chlorinated graphene by adamantane Grignard reagent afforded adamantane graphene in almost quantitative yield. Adamantane groups were found to be covalently bonded to the graphene carbons. The present two-step procedure may provide an effective and facile route for graphene modification with varieties of organic functional groups. - Graphical abstract: Adamantane groups covalently functionalized graphene is obtained by direct substitution of chlorinated graphene with bromoadamantane Grignard reagent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Developmental exposure to 50 parts-per-billion arsenic influences histone modifications and associated epigenetic machinery in a region- and sex-specific manner in the adult mouse brain

Epidemiological studies report that arsenic exposure via drinking water adversely impacts cognitive development in children and, in adults, can lead to greater psychiatric disease susceptibility, among other conditions. While it is known that arsenic toxicity has a profound effect on the epigenetic landscape, very few studies have investigated its effects on chromatin architecture in the brain. We have previously demonstrated that exposure to a low level of arsenic (50 ppb) during all three trimesters of fetal/neonatal development induces deficits in adult hippocampal neurogenesis in the dentate gyrus (DG), depressive-like symptoms, and alterations in gene expression in the adult mouse brain. As epigenetic processes control these outcomes, here we assess the impact of our developmental arsenic exposure (DAE) paradigm on global histone posttranslational modifications and associated chromatin-modifying proteins in the dentate gyrus and frontal cortex (FC) of adult male and female mice. DAE influenced histone 3 K4 trimethylation with increased levels in the male DG and FC and decreased levels in the female DG (no change in female FC). The histone methyltransferase MLL exhibited a similar sex- and region-specific expression profile as H3K4me3 levels, while histone demethylase KDM5B expression trended in the opposite direction. DAE increased histone 3 K9 acetylation levels in the male DG along with histone acetyltransferase (HAT) expression of GCN5 and decreased H3K9ac levels in the male FC along with decreased HAT expression of GCN5 and PCAF. DAE decreased expression of histone deacetylase enzymes HDAC1 and HDAC2, which were concurrent with increased H3K9ac levels but only in the female DG. Levels of H3 and H3K9me3 were not influenced by DAE in either brain region of either sex. These findings suggest that exposure to a low, environmentally relevant level of arsenic during development leads to long-lasting changes in histone methylation and acetylation in the adult brain due to aberrant expression of epigenetic machinery based on region and sex. - Highlights: • Brain tissue from adult mice with developmental arsenic exposure (DAE) was used. • DAE impacted histone methylation and associated methyltransferases based on sex. • DAE differentially altered histone acetylation based on brain region. • DAE altered HATs in males and HDACs in females. • Epigenetic modifier expression correlated with the associated histone modification.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

Fundamental Insight into Zr Modification of Li- and Mn-Rich Cathodes: Combined Transmission Eelctron Microscopy and Electrochemical Impedance Spectroscopy Study

Zr surface modification was performed on Li- and Mn-rich (LMR) cathode material (Li1.2Ni0.13Co0.13Mn0.54O2) to suppress the detrimental phase transformation upon cycling and enhance its electrochemical performance. Using a wet chemical method, a Zr-based rock-salt layer with a thickness of 1~2 nm was formed on the surface of the LMR. Controlled studies reveal that the Zr-based layers can effectively suppress the phase transformation, leading to an enhanced long-term cycling performance and rate capability. At C/3, the Zr-modified LMR material was found to deliver an initial discharge specific capacity of 211 mAh g-1, and maintain a capacity of 182 mAh g-1 after 100 cycles. Even at high rates of 1, 2 and 3C, it still displays high discharge capacities of 178, 156 and 143 mAh g-1, respectively. This work reports for the first time the detailed mechanisms at atomic scale of how Zr modification can be effectively used to tailor the surface microstructures of high energy cathode materials to improve their long-term stability and cycle life.

Li- and Mn-rich cathode, Li1.2Ni0.13Co0.13Mn0.54O2↗

DOE OSTI2025

Polyethylene Glycol Surface Modification and Polythiophene Side-Chain Chemistry: A Combined Strategy toward High-Capacity Lithium-Ion Battery Anodes

In the development of high-capacity lithium-ion batteries (LIBs), the combined optimization of active material interfaces and polymer binder chemistry plays a critical role in improving electrode performance and longevity. This work explores a dual design strategy incorporating polyethylene glycol (PEG) surface modification and carboxylated polythiophene side-chain tailoring to enhance the electrochemical behavior of magnetite (Fe 3 O 4 )-based anodes. PEG is employed to improve interfacial stability, while carboxylated polythiophene binders with varying alkyl side-chain lengths─poly[3-(potassium-4-butanoate)thiophene-2,5-diyl] (P3KBT), poly[3-(potassium-5-pentanoate)thiophene-2,5-diyl] (P3KPT), and poly[3-(potassium-6-hexanoate)thiophene-2,5-diyl] (P3KHT)─are used to modulate molecular interactions and ion transport. Among these three analogs, the PEG–Fe 3 O 4 –P3KHT electrode exhibits superior ion-transfer kinetics, the highest capacity retention, and the lowest charge-transfer resistance after extended cycling. Compared to their non-PEG analogs, PEG-coated electrodes demonstrate enhanced structural integrity and electrochemical behavior, emphasizing the synergistic effects of surface modification and side-chain chemistry. These findings highlight the importance of interfacial interactions and molecular design in achieving robust and high-performance composite anodes for next-generation LIBs.

Fe3O4↗

DOE OSTI2017

Organofunctional Silane Modification of Aluminum-Doped Zinc Oxide Surfaces as a Route to Stabilization

Aluminum-doped zinc oxide (AZO) is a low-temperature processed transparent conductive oxide (TCO) made of earth abundant elements; its applications are currently limited by instability to heat, moisture, and acidic conditions. We demonstrate that the application of an organofunctional silane modifier mitigates AZO degradation, and explore the interplay between performance and material composition and morphology. Specifically, we evaluate degradation of bare AZO and APTES (3-aminopropyltriethoxysilane)-modified AZO in response to damp heat (DH, 85 °C, 85 % relative humidity) exposure over 1000 h, then demonstrate how surface modification impacts changes in electrical and optical properties, and chemical composition in one of the most thorough studies to date. Hall measurements show that the resistivity of AZO increases due to a decrease in electron mobility, with no commensurate change in carrier concentration. APTES decelerates this electrical degradation, without affecting AZO optical properties. Percent transmission and yellowness index of an ensemble of bare and modified AZO are stable upon DH exposure, but haze increases slightly for a discrete sample of modified AZO. Atomic force microscopy (AFM) and optical profilometer (OP) measurements do not show evidence of pitting or delamination after 1000 h DH exposure, but indicate a slight increase in surface roughness on both the nanometer and micron length scales. X-ray photoelectron spectroscopy data (XPS) reveal that the surface composition of bare and silanized AZO is stable over this time frame; oxygen vacancies, as measured by XPS, are also stable with DH exposure, which, together with transmission and Hall measurements, indicate stable carrier concentrations. However, after 1500 h of DH exposure, only bare AZO shows signs of catastrophic destruction. Comparison of the data presented herein to previous reports indicates that the initial AZO composition and microstructure dictate the degradation profile. Furthermore, this work demonstrates that surface modification slows the bulk degradation of AZO, and provides insight into how the material can be more widely used as a transparent electrode in the next generation of optoelectronic devices.

14 SOLAR ENERGY↗