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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Construction of Boron- and Nitrogen-Enriched Nanoporous π-Conjugated Networks Towards Enhanced Hydrogen Activation

Boron-enriched scaffolds have demonstrated unique features and promising performance in the field of catalysis towards the activation of small gas molecules. However, there is still a lack of facile approaches capable of achieving high B doping and abundant porous channels in the targeted catalysts. Here, in this paper, construction of boron- and nitrogen-enriched nanoporous π-conjugated networks (BN-NCNs) was achieved via a facile ionothermal polymerization procedure with hexaazatriphenylenehexacarbonitrile [HAT(CN) 6 ] sodium borohydride as the starting materials. The as-produced BN-NCN scaffolds were featured by high heteroatoms doping (B up to 23 wt. % and N: up to 17 wt. %) and permanent porosity (surface area up to 759 m 2 g -1 mainly contributed by micropores). With the unsaturated bonded B species acting as the active Lewis acid sites and defected N species acting as the active Lewis base sites, those BN-NCNs delivered attractive catalytic performance towards H 2 activation/dissociation in both gaseous and liquid phase, acting as efficient metal-free heterogeneous frustrated Lewis pairs (FLPs) catalysts in hydrogenation procedures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

EPRI Software for Estimating Decommissioning Waste Volumes - 16046

EPRI has adapted computer software that can estimate the volume and activity content of waste resulting from the dismantlement of nuclear facilities. This software, designated as Automatic Estimation of the Radiological Inventory or AERI, was originally developed by Iberdrola for use by ENRESA in Spain. The software estimates the radiological inventory for all the components and civil structures of the plant or other facility that are included in the physical inventory. The radiological inventory shows the internal and external surface contamination, as well as the volumetric contamination. The processes of the software are able to estimate both the specific activity levels (in Bq/g or pCi/g) for each radionuclide and the surface activity (Bq/cm{sup 2} or dpm/100 cm{sup 2}) for components and civil structures located in the radiological areas. AERI allows the user to extrapolate, through a statistical approach, the contamination levels obtained by sampling data in specific components and civil structures to the entire facility. The main benefits and values obtained with AERI are the following: - The radiological inventory of the plant can be obtained from a limited set of radiological sampling data. Using the mathematical models allows for the optimization of the number of sampling and analysis that needs to be done. The uncertainties of the calculations are reduced with more data. The user must balance the level of uncertainty of the calculations and the number of sample data they will use. - The automatic management of radiological data in short computing times allows for the execution of several scenarios in a reasonable time. Therefore, different radioactive waste and decommissioning hypotheses can be tested. For example, inventory and data can be split into two different set. One of them can be used for obtaining radiological inventory for early dismantling (3 years, as example) and the second one for deferred dismantling (25 years.) - The software supports the planning and implementation of decommissioning strategies for nuclear plants. For instance, several decontamination factors can be evaluated, assuming different level for decontamination of materials, and results for materials from several streams and use of different container types may be included in each evaluation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

One-Pot Synthesis of Melamine Formaldehyde Resin-Derived N-Doped Porous Carbon for CO 2 Capture Application

The design and synthesis of porous carbons for CO 2 adsorption have attracted tremendous interest owing to the ever-soaring concerns regarding climate change and global warming. Herein, for the first time, nitrogen-rich porous carbon was prepared with chemical activation (KOH) of commercial melamine formaldehyde resin (MF) in a single step. It has been shown that the porosity parameters of the as-prepared carbons were successfully tuned by controlling the activating temperature and adjusting the amount of KOH. Thus, as-prepared N-rich porous carbon shows a large surface area of 1658 m 2 /g and a high N content of 16.07 wt%. Benefiting from the unique physical and textural features, the optimal sample depicted a CO 2 uptake of up to 4.95 and 3.30 mmol/g at 0 and 25 °C under 1 bar of pressure. More importantly, as-prepared adsorbents show great CO 2 selectivity over N 2 and outstanding recyclability, which was prominently important for CO 2 capture from the flue gases in practical application. An in-depth analysis illustrated that the synergetic effect of textural properties and surface nitrogen decoration mainly determined the CO 2 capture performance. However, the textural properties of carbons play a more important role than surface functionalities in deciding CO 2 uptake. In view of cost-effective synthesis, outstanding textural activity, and the high adsorption capacity together with good selectivity, this advanced approach becomes valid and convenient in fabricating a unique highly efficient N-rich carbon adsorbent for CO 2 uptake and separation from flue gases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Enhancing low-temperature activity and durability of Pd-based diesel oxidation catalysts using ZrO 2 supports

In this study, we investigated the impact of ZrO 2 on the performance of palladium-based oxidation catalysts with respect to low-temperature activity, hydrothermal stability, and sulfur tolerance. Pd supported on ZrO 2 and SiO 2 were synthesized for a comparative study. Additionally, in an attempt to maximize the ZrO 2 surface area and improve sulfur tolerance, a Pd support with ZrO 2 -dispersed onto SiO 2 was studied. The physicochemical properties of the catalysts were examined using ICP, N 2 sorption, XRD, SEM, TEM, and NH 3- , CO 2- , and NO x- TPD. The activity of the Pd catalysts were measured from 60 to 600 °C in a flow of 4000 ppm CO, 500 ppm NO, 1000 ppm C 3 H 6 , 4% O 2 , 5% H 2 O, and Ar balance. The Pd catalysts were evaluated in fresh, sulfated, and hydrothermally aged states. Overall, the ZrO 2 -containing catalysts showed considerably higher CO and C 3 H 6 oxidation activity than Pd/SiO 2 under the reaction conditions studied.

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

Radon Fluxes from an Earthen Barrier Over Uranium Mill Tailings After Two Decades of Service - 17234

Radon (Rn) fluxes were measured at a disposal facility for uranium mill tailings after two decades of service. The facility was closed with an earthen cover vegetated with grasses. Measurements were made on the surface of the Rn barrier and directly on the surface of the tailings. Fluxes were measured using extra small (area = 0.018 m{sup 2}), small (0.071 m{sup 2}), medium (0.59 m{sup 2}), and large (2.32 m{sup 2}) flux chambers to evaluate the impact of measurement scale on Rn flux. Activated carbon (AC) passive collectors and electric radon detectors (RAD7) were used to measure Rn concentrations. Tests were conducted at various locations on each cover representing conditions that can lead to different levels of soil structural development and different water content. Rn fluxes at the surface of the Rn barrier were much lower than Rn fluxes measured at the surface of the tailings, indicating the barrier remained effective for Rn containment. Geometric mean Rn fluxes measured at the surface of the Rn barrier in each test pit were below the regulatory requirement (0.74 Bq/m{sup 2}- s). Rn concentrations measured using AC samplers in the flux chambers were 60% of concentrations measured using the RAD7, on average, and Rn fluxes computed with the AC data were 9% of those computed with the RAD7 data, on average. Size of the flux chamber had no systematic effect on Rn flux, indicating that 20 y of soil forming processes had not created a pore network causing scale-dependent Rn flux. Geometric mean Rn fluxes in the test pits were similar regardless of differences in surface conditions (vegetation, thickness of soil cover) known to influence soil forming processes and soil structure, but were lower in areas where surface conditions promoted higher water content in the Rn barrier. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Synthesis and photocatalytic performance of g-C{sub 3}N{sub 4} nanosheets via liquid phase stripping

Well dispersed g-C{sub 3}N{sub 4} nanosheets were prepared by exfoliating the bulk g-C{sub 3}N{sub 4} in concentrated sulfuric acid. Phase structures, morphologies and elemental compositions were characterized by X-ray diffractometer, scanning electron microscope, transmission electron microscope and X-ray photoelectron spectrometer, respectively. Optical absorption and photoluminescence were also used to explain the optical performances of samples. NaI, BQ and IPA were used as the sacrificial agents for studying the surface reactions in the photocatalytic process. By the precipitation of g-C{sub 3}N{sub 4} nanosheets in ethanol with different ratios between concentrated sulfuric acid and ethyl alcohol, well dispersed g-C{sub 3}N{sub 4} nanosheets with high specific surface area can be obtained. The optimized g-C{sub 3}N{sub 4} (1:10) nanosheets achieve the highest photocatalytic activities under UV light illumination, which can degrade 10 mg/L RhB about 98% in 60 min, which is 6 times that of bulk g-C{sub 3}N{sub 4} under UV light. - Graphical Abstract: The schematic diagram of photocatalysis and excellent photocatalytic performance of g-C{sub 3}N{sub 4} nanosheets. - Highlights: • Well dispersed g-C{sub 3}N{sub 4} were prepared via Liquid Phase Stripping. • The g-C{sub 3}N{sub 4} is in a sheet like structure after being exfoliated. • The g-C{sub 3}N{sub 4} nanosheets possess high photocatalytic performances.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

An efficient visible-light photocatalyst prepared by modifying AgBr particles with a small amount of activated carbon

Highlights: • An efficient visible-light photocatalyst was prepared by modifying AgBr particles. • A small amount of activated carbon was used to modify AgBr particles. • The modified AgBr exhibited improved visible-light photocatalytic performances. - Abstract: An efficient visible-light photocatalyst was successfully prepared by modifying AgBr particles with a small amount of activated carbon (AC) via a simple chemical precipitation approach. The AC/AgBr composite was characterized by X-ray diffraction, X-ray photoelectron spectroscopy, scanning electron microscopy, UV–vis diffuse reflection spectroscopy, photoluminescence spectroscopy, electrochemical impedance spectroscopy. The photocatalytic performances of the AC/AgBr composite were investigated by evaluating photodegradation of methyl orange (MO) and phenol under visible light irradiation, and the effects of the AC content in the composite, concentrations of AC/AgBr composite and MO, carrier scavengers on MO photodegradation rate were systematically investigated. The results indicated that the modification of AC can hardly change the crystalline and crystal size of AgBr particles, while significantly improve their specific surface areas, visible-light absorption and separation efficiency of photogenerated electron–hole pairs. Compared with pure AgBr, the AC/AgBr composite exhibited drastically enhanced visible-light photocatalytic activity and stability. The photogenerated electrons and holes, hydroxyl radicals are responsible to the photodegradation of organic pollutants, and the photogenerated holes are the main active species. On the basis of the results and the properties of AC and AgBr, the visible-light photocatalytic mechanism of the AC/AgBr composite was discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Encapsulation of Wastes Using Adapted Geopolymer Formulations - 20272

A geopolymer formulation characterized by a low initial viscosity, suitable to immobilise a wide range of waste types such as oils, chemicals and solid waste, is introduced and characterized. The role of the specific surface area of magnesium oxide additions to the reference formulation is presented. Moreover, its capability to encapsulate different volume fractions of oil via the preparation of oil in activator solution emulsions is introduced. Lastly, the effect of oil incorporation on the density, the mechanical strength and the leaching properties of the compositions is presented and discussed. (authors)

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

Novel TiO{sub 2} prepared from titanyl sulphate by using pressurized water processing and its photocatalytic activity evaluation

Highlights: • A novel preparation approach of TiO{sub 2} anatase from titanyl sulphate by using pressurized water processing. • Processing temperature affects crucially the TiO{sub 2} anatase crystallization. • Correlation between Raman FWHMs and XRD determined anatase crystallites-size enabling the estimation of anatase crystallites-size from Raman spectra. • The anatase crystallite-size and surface area are determining properties in AO7 photo-discolorization. • The band gap structure and rate of recombination of electrons and holes are the determining properties in N{sub 2}O photodecomposition. - Abstract: TiO{sub 2} anatase was prepared by a novel preparation approach, combining utilization of titanyl sulphate as a precursor and pressurized water processing. In addition, two different chemical methods for preparation were used – thermal hydrolysis and induced hydrolysis. The photoactivity of developed TiO{sub 2} was examined in two environmentally-prospective reactions: azo-dye AO7 photodiscoloration (oxidation) and N{sub 2}O photodecomposition (reduction). It was revealed that during the processing the temperature has a crucial effect on TiO{sub 2} crystallization contrary to pressure. TiO{sub 2} anatase of smaller crystallite-size showed significantly higher photoactivity in AO7 photodiscoloration than TiO{sub 2} anatase of large crystallite-size. However, in N{sub 2}O photodecomposition all synthesized materials showed comparable activity. While the TiO{sub 2} anatase crystallite-size and surface area are the determining properties in azo-dye AO7 photodiscoloration, the electronic band structure and recombination rate of electron and holes are determining in N{sub 2}O photodecomposition. The correlation enabling the estimation of TiO{sub 2} anatase crystallite-size from Raman FWHMs was found as well.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Surface‐Strained and Geometry‐Tailored Nanoreactor that Promotes Ammonia Electrosynthesis

Abstract A surface‐strained and geometry‐optimized TiO 2 nanoreactor enhances the performance of electrocatalytic nitrogen fixation. The nanotubular confinement allows spatial regulation of the mass transport of nitrogen during the NRR process and offers an enlarged surface area, thus boosting the ammonia production with high selectivity. Both experimental and theoretical evidence support strained Ti 3+ sites, demonstrating a more favorable pathway for the N 2 activation and selective NH 3 production with a faster kinetic rate than the pristine TiO 2 . The TiO 2 ‐based nanoreactor with surface and bulk structure tailoring delivered an NH 3 yield rate up to 5.50 μg h −1 cm −2 (16.67 μg h −1 mg cat −1 ) and high faradaic efficiency of 26 % under ambient aqueous conditions. Our findings highlight the concept of lattice strain and geometry modified nanoreactors, which will have broad implications in the renewable energy catalysis and electrosynthesis of valuable products.

Li, Panpan↗
DOE OSTI2020

A Surface-Strained and Geometry-Tailored Nanoreactor that Promotes Ammonia Electrosynthesis

A surface-strained and geometry-optimized TiO 2 nanoreactor enhances the performance of electrocatalytic nitrogen fixation. The nanotubular confinement allows spatial regulation of the mass transport of nitrogen during the NRR process and offers an enlarged surface area, thus boosting the ammonia production with high selectivity. Both experimental and theoretical evidence support strained Ti 3+ sites, demonstrating a more favorable pathway for the N 2 activation and selective NH 3 production with a faster kinetic rate than the pristine TiO 2 . The TiO 2 -based nanoreactor with surface and bulk structure tailoring delivered an NH 3 yield rate up to 5.50 μg h -1 cm -2 (16.67 μg h -1 mg cat -1 ) and high faradaic efficiency of 26 % under ambient aqueous conditions. Furthermore, our findings highlight the concept of lattice strain and geometry modified nanoreactors, which will have broad implications in the renewable energy catalysis and electrosynthesis of valuable products.

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

Uniform Pt/Pd Bimetallic Nanocrystals Demonstrate Platinum Effect on Palladium Methane Combustion Activity and Stability

Bimetallic catalytic materials are in widespread use for numerous reactions, as the properties of a monometallic catalyst are often improved upon addition of a second metal. In studies with bimetallic catalysts, it remains challenging to establish clear structure–property relationships using traditional impregnation techniques, due to the presence of multiple coexisting active phases of different sizes, shapes, and compositions. Here, a convenient approach to prepare small and uniform Pt/Pd bimetallic nanocrystals with tailorable composition is demonstrated, despite the metals being immiscible in the bulk. By depositing this set of controlled nanocrystals onto a high-surface-area alumina support, we systematically investigate the effect of adding platinum to palladium catalysts for methane combustion. At low temperatures and in the absence of steam, all bimetallic catalysts show activity nearly identical with that of Pt/Al 2 O 3 , with much lower rates in comparison to that of the Pd/Al 2 O 3 sample. BUt, unlike Pd/Al 2 O 3 , which experiences severe low-temperature steam poisoning, all Pt/Pd bimetallic catalysts maintain combustion activity on exposure to excess steam. These features are due to the influence of Pt on the Pd oxidation state, which prevents the formation of a bulk-type PdO phase. Despite lower initial combustion rates, hydrothermal aging of the Pd-rich bimetallic catalyst induces segregation of a PdO phase in close contact to a Pd/Pt alloy phase, forming more active and highly stable sites for methane combustion. Altogether, this work unambiguously clarifies the activity and stability attributes of Pt/Pd phases which often coexist in traditionally synthesized bimetallic catalysts and demonstrates how well-controlled bimetallic catalysts elucidate structure–property relationships.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Development and validation of chemistry agnostic flow battery cost performance model and application to nonaqueous electrolyte systems: Chemistry agnostic flow battery cost performance model

A chemistry agnostic cost performance model is described for a nonaqueous flow battery. The model predicts flow battery performance by estimating the active reaction zone thickness at each electrode as a function of current density, state of charge, and flow rate using measured data for electrode kinetics, electrolyte conductivity, and electrode-specific surface area. Validation of the model is conducted using a 4kW stack data at various current densities and flow rates. This model is used to estimate the performance of a nonaqueous flow battery with electrode and electrolyte properties used from the literature. The optimized cost for this system is estimated for various power and energy levels using component costs provided by vendors. The model allows optimization of design parameters such as electrode thickness, area, flow path design, and operating parameters such as power density, flow rate, and operating SOC range for various application duty cycles. A parametric analysis is done to identify components and electrode/electrolyte properties with the highest impact on system cost for various application durations. A pathway to 100$kWh -1 for the storage system is identified.

25 ENERGY STORAGE↗
DOE OSTI2014

Augmented photocatalytic activity and luminescence response of Tb³⁺ doped nanoscale titania systems

The present work reports on the effect of Tb³⁺ doping on the luminescence and photocatalytic performance of nano-structured titania derived through a sol-gel route. X-ray diffraction patterns have revealed the existence of anatase phase with and without Tb³⁺ doping and with an improved orientation factor along (004) and (200) planes. Transmission electron microscopy and selective area electron diffraction studies, while exhibiting ample poly-crystallinity feature, have predicted an average particle size of ~9 nm and ~6 nm for the un-doped and 5% Tb³⁺ doped nano-titania samples; respectively. Apart from emissions accompanied by different types of defects, Tb³⁺ related transitions, such as, ⁵D₃ → ⁷F₅, ⁵D₃ → ⁷F₄, and ⁵D₄ → ⁷F₆ were identified in the photoluminescence spectra. Brunauer-Emmett-Teller surface area analysis, as carried out on a Tb³⁺ doped nano-titania system, has demonstrated a more-open hysteretic loop owing to significant difference of N₂ adsorption/desorption rates. The photocatalytic activity of nano-titania, as evaluated from the nature of degradation of methyl orange under UV illumination, exhibited the highest efficiency for a Tb³⁺ doping level of 2.5%. The augmented photocatalytic degradation has also been discussed in the light of a model based on pseudo first-order kinetics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1972

Active controls - Changing the rules of structural design.

Approaches making use of aerodynamic surfaces in combination with advanced flight computers, and electrohydraulic systems could be used to improve economics of commercial aircraft operation, smooth the passenger's ride, reduce terminal-area noise, and ease terminal-area congestion. This emerging technology is becoming known as active controls technology. Maximum benefits from active controls can come only by considering controls early in the design cycle. Active controls can save weight by reducing the structural strength necessary. Some of the technical benefits of active controls would increase return on investment and raise profits. Details of a proposed active controls research program are discussed.

Hood, R. V.↗
DOE OSTI2018

Ordered Pt 3 Co Intermetallic Nanoparticles Derived from Metal–Organic Frameworks for Oxygen Reduction

Highly ordered Pt alloy structures are proved effective to improve their catalytic activity and stability for the oxygen reduction reaction (ORR) for proton exchange membrane fuel cells. Here, we report a new approach to preparing ordered Pt 3 Co intermetallic nanoparticles through a facile thermal treatment of Pt nanoparticles supported on Co-doped metal-organic framework (MOF)-derived carbon. In particular, the atomically dispersed Co sites, which are originally embedded into MOF-derived carbon, diffuse into Pt nanocrystals and form ordered Pt 3 Co structures. It is very crucial for the formation of the ordered Pt 3 Co to carefully control the doping content of Co into the MOFs and the heating temperatures for Co diffusion. The optimal Pt 3 Co nanoparticle catalyst has achieved significantly enhanced activity and stability, exhibiting a half-wave potential up to 0.92 V vs. RHE and only losing 12 mV after 30,000 potential cycling between 0.6 and 1.0 V. The highly ordered intermetallic structure was retained after the accelerated stress tests evidenced by atomic-scale elemental mapping. Fuel cell tests further verified the high intrinsic activity of the ordered Pt 3 Co catalysts. Unlike the direct use of MOF-derived carbon supports for depositing Pt, we utilized MOF-derived carbon containing atomically dispersed Co sites as Co sources to prepare ordered Pt 3 Co intermetallic catalysts. Finally, the new synthesis approach provides an effective strategy to develop active and stable Pt alloy catalysts by leveraging the unique properties of MOFs such as 3D structures, high surface areas, and controlled nitrogen doping.

25 ENERGY STORAGE↗
DOE OSTI2018

Synthesis of Nitrogen and Sulfur Codoped Nanoporous Carbons from Algae: Role in CO 2 Separation

Nitrogen and sulfur codoped and completely renewable carbons were synthesized from two types of algae, Spirulina Platensis and Chlorella Vulgaris, without any additional nitrogen fixation reaction. The type of activation agents, char-forming temperature, activation agent-to-char ratio, and activation temperature were all varied to optimize the reaction conditions for this synthesis. The maximum Brunauer–Emmett–Teller surface area and total pore volumes of the carbons were 2685 m 2 /g and 1.4 cm 3 /g, respectively. The nitrogen and sulfur contents of the carbons were in the range of 0.9–5.69 at. % and 0.05–0.2 at. %, respectively. The key nitrogen functionalities were pyridinic, amino, and pyridonic/pyrrolic groups, whereas the key sulfur functionalities were S–C, O–S–C, and SO x groups. CO 2 adsorption isotherms were measured at 273, 298, and 313 K, and the ideal adsorbed solution theory was employed to calculate the selectivity of adsorption of CO 2 over N 2 and simulate binary adsorption isotherms. The adsorption results demonstrated that the CO 2 adsorption amount and the heat of CO 2 adsorption were higher for carbons with higher nitrogen content, confirming the influence of nitrogen functionality in CO 2 adsorption. The overall results suggested that these algae-derived renewable carbons can serve as potential adsorbents for CO 2 separation from N 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗