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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
NASA NTRS2021

Global Intercomparison of hyper-resolution ECOSTRESS coastal sea surface temperature measurements from the Space Station with VIIRS-N20

The ECOSTRESS multi-channel thermal radiometer on the Space Station has an unprecedented spatial resolution of 70 m and a return time of hours to 5 days. It resolves details of oceanographic features not detectable in imagery from MODIS or VIIRS, and has open-ocean coverage, unlike Landsat. We calibrated two years of ECOSTRESS sea surface temperature observations with L2 data from VIIRS-N20 (2019–2020) worldwide but especially focused on important upwelling systems currently undergoing climate change forcing. Unlike operational SST products from VIIRS-N20, the ECOSTRESS surface temperature algorithm does not use a regression approach to determine temperature, but solves a set of simultaneous equations based on first principles for both surface temperature and emissivity. We compared ECOSTRESS ocean temperatures to well-calibrated clear sky satellite measurements from VIIRS-N20. Data comparisons were constrained to those within 90 min of one another using co-located clear sky VIIRS and ECOSTRESS pixels. ECOSTRESS ocean temperatures have a consistent 1.01 ◦C negative bias relative to VIIRS-N20, although deviation in brightness temperatures within the 10.49 and 12.01 µm bands were much smaller. As an alternative, we compared the performance of NOAA, NASA, and U.S. Navy operational split-window SST regression algorithms taking into consideration the statistical limitations imposed by intrinsic SST spatial autocorrelation and applying corrections on brightness temperatures. We conclude that standard bias-correction methods using already validated and well-known algorithms can be applied to ECOSTRESS SST data, yielding highly accurate products of ultra-high spatial resolution for studies of biological and physical oceanography in a time when these are needed to properly evaluate regional and even local impacts of climate change.

Nicolas Weidberg↗
NASA NTRSDate not supplied

Advancement of Deep Learning and Geometric Methods for Active Terrain Relative Navigation

To enhance NASA’s precision landing capabilities, in conjunction with the development of a novel active terrain relative navigation (ATRN) and terrain mapping system, denoted SHERIF, this work performed a comparative analysis between both deep-learning (DL) based and geometric approaches to hazard detection (HD) and safe-site-identification (SSI) through hardware-in-the loop testing on the Six degree-of-freedom Tendon Actuated Robot (STAR). The Standalone Hazard Evaluation and Refinement using Instrument Findings (SHERIF) system is capable of ingesting sensor data at an asynchronous rate, stitching successive terrain scans together to yield a high-resolution digital elevation map (DEM), performing absolute and relative localization using novel 3D feature extraction and matching methods, and HD/SSI activities. The DL-based HD/SSI algorithm provides a modular alternative to classical geometric approaches which have performance times that scale with map resolution. As the adoption of AI solutions become more prevalent for autonomous system decision making, it is prudent to explore the utility of such solutions in applications where they traditionally excel, such as image classification. Along with the development of a DL-based HD system, this work performed the first comparative analysis between DL and geometric approaches to HD/SSI using real sensor data from real-time testing in a relevant environment.

Davis Adams↗
NASA NTRS2010

Salience Assignment for Multiple-Instance Data and Its Application to Crop Yield Prediction

An algorithm was developed to generate crop yield predictions from orbital remote sensing observations, by analyzing thousands of pixels per county and the associated historical crop yield data for those counties. The algorithm determines which pixels contain which crop. Since each known yield value is associated with thousands of individual pixels, this is a multiple instance learning problem. Because individual crop growth is related to the resulting yield, this relationship has been leveraged to identify pixels that are individually related to corn, wheat, cotton, and soybean yield. Those that have the strongest relationship to a given crop s yield values are most likely to contain fields with that crop. Remote sensing time series data (a new observation every 8 days) was examined for each pixel, which contains information for that pixel s growth curve, peak greenness, and other relevant features. An alternating-projection (AP) technique was used to first estimate the "salience" of each pixel, with respect to the given target (crop yield), and then those estimates were used to build a regression model that relates input data (remote sensing observations) to the target. This is achieved by constructing an exemplar for each crop in each county that is a weighted average of all the pixels within the county; the pixels are weighted according to the salience values. The new regression model estimate then informs the next estimate of the salience values. By iterating between these two steps, the algorithm converges to a stable estimate of both the salience of each pixel and the regression model. The salience values indicate which pixels are most relevant to each crop under consideration.

Wagstaff, Kiri L.↗
NASA NTRS1991

Monte Carlo Shower Counter Studies

Activities and accomplishments related to the Monte Carlo shower counter studies are summarized. A tape of the VMS version of the GEANT software was obtained and installed on the central computer at Gallaudet University. Due to difficulties encountered in updating this VMS version, a decision was made to switch to the UNIX version of the package. This version was installed and used to generate the set of data files currently accessed by various analysis programs. The GEANT software was used to write files of data for positron and proton showers. Showers were simulated for a detector consisting of 50 alternating layers of lead and scintillator. Each file consisted of 1000 events at each of the following energies: 0.1, 0.5, 2.0, 10, 44, and 200 GeV. Data analysis activities related to clustering, chi square, and likelihood analyses are summarized. Source code for the GEANT user subprograms and data analysis programs are provided along with example data plots.

Snyder, H. David↗
DOE OSTI2022

Polyolefin Innovations Toward Circularity and Sustainable Alternatives

The unprecedented growth and socioeconomic impacts of polyolefins clearly outline a major success story in the world of polymer science. Polyolefins revolutionizes industries such as health care, construction, and food packaging. Despite the benefits of polyolefins, there is a rising concern for the environment due to high production volume (i.e., fossil fuel consumption), often short usage time, and problems related to waste management and accumulation in the natural environment. Creating a circular economy for polyolefins through effective recycling technologies has the potential to decrease the environmental impact of these materials. This perspective discusses polyolefins and their impact, existing and emerging recycling/upcycling solutions, and recycle-by-design alternatives that are challenging the status quo.

circular economy↗
DOE OSTI2017

Investigation of high-speed shaft bearing loads in wind turbine gearboxes through dynamometer testing

Many wind turbine gearboxes require repair or replacement well before reaching the end of their design life. The most common failure is bearing axial cracks, commonly called white etching cracks (WECs), which typically occur in the inner raceways of the high-speed parallel-stage rolling element bearings. Although the root causes of WECs are debated, one theory is that they are related to routine dynamic operating conditions and occasional transient events prevalent in wind turbines that can result in high bearing stress and sliding of the rolling elements. Here, this paper examined wind turbine gearbox high-speed shaft bearing loads and stresses through modeling and full-scale dynamometer testing. Bearing outer race loads were directly measured and predicted using a variety of modeling tools in normal operations, misaligned conditions, and transient events particularly prone to bearing sliding. Test data and models of bearing loads were well correlated. Neither operational misalignment due to rotor moments nor static generator misalignment affected the bearing loads when compared with pure-torque conditions. Thus, it is not likely that generator misalignment is a causal factor of WECs. In contrast, during transient events, the bearings experienced alternating periods of high stress, torque reversals, and loads under the minimum requisite at high rotating speeds while showing indications of sliding, all of which could be related to the formation of WECs.

17 WIND ENERGY↗
NASA NTRS2014

Modeling the X-Ray Process, and X-Ray Flaw Size Parameter for POD Studies

Nondestructive evaluation (NDE) method reliability can be determined by a statistical flaw detection study called probability of detection (POD) study. In many instances the NDE flaw detectability is given as a flaw size such as crack length. The flaw is either a crack or behaving like a crack in terms of affecting the structural integrity of the material. An alternate approach is to use a more complex flaw size parameter. The X-ray flaw size parameter, given here, takes into account many setup and geometric factors. The flaw size parameter relates to X-ray image contrast and is intended to have a monotonic correlation with the POD. Some factors such as set-up parameters including X-ray energy, exposure, detector sensitivity, and material type that are not accounted for in the flaw size parameter may be accounted for in the technique calibration and controlled to meet certain quality requirements. The proposed flaw size parameter and the computer application described here give an alternate approach to conduct the POD studies. Results of the POD study can be applied to reliably detect small flaws through better assessment of effect of interaction between various geometric parameters on the flaw detectability. Moreover, a contrast simulation algorithm for a simple part-source-detector geometry using calibration data is also provided for the POD estimation.

Khoshti, Ajay↗
NASA NTRS2014

Modeling the X-ray Process, and X-ray Flaw Size Parameter for POD Studies

Nondestructive evaluation (NDE) method reliability can be determined by a statistical flaw detection study called probability of detection (POD) study. In many instances, the NDE flaw detectability is given as a flaw size such as crack length. The flaw is either a crack or behaving like a crack in terms of affecting the structural integrity of the material. An alternate approach is to use a more complex flaw size parameter. The X-ray flaw size parameter, given here, takes into account many setup and geometric factors. The flaw size parameter relates to X-ray image contrast and is intended to have a monotonic correlation with the POD. Some factors such as set-up parameters, including X-ray energy, exposure, detector sensitivity, and material type that are not accounted for in the flaw size parameter may be accounted for in the technique calibration and controlled to meet certain quality requirements. The proposed flaw size parameter and the computer application described here give an alternate approach to conduct the POD studies. Results of the POD study can be applied to reliably detect small flaws through better assessment of effect of interaction between various geometric parameters on the flaw detectability. Moreover, a contrast simulation algorithm for a simple part-source-detector geometry using calibration data is also provided for the POD estimation.

Koshti, Ajay M.↗
DOE OSTI2021

Prototype and Codesign of Nascent Flexible Wave Energy Converter Concepts

Prevailing mainstream ocean wave energy converter (WEC) archetypes are often relatively large monolithic rigid bodies with singular means of power take-off (e.g., relative motion between rigid bodies) and solo prime mover mechanisms (e.g. a rotary generator, a hydraulic piston). These mainstream WEC archetypes have existed for decades with some having histories spanning more than a century of significant investments and interests. As an alternative to the domain of mainstream WEC archetypes is the domain of distributed embedded energy converter technologies (also known as DEEC-Tec). Use of DEEC-Tec to create WECs - often called flexWECs - is a nascent domain of research and development that centers itself upon the interconnection of many relatively small energy converters - very small energy transducers - that interconnect and combine to create a much larger, overall, energy converting structure. The DEEC-Tec domain enables promising possibilities such as: direct in situ ocean wave energy harvesting and conversion throughout the volume of an entire flexWEC; inherent broad-banded ocean wave energy capture and conversion arising from near semi-continuous structural degrees of freedom; an innate absence of focusing and concentrating of ocean wave energy into a single prime mover and/or transmission system; and built-in implicit redundancy. As such, the DEEC-Tec domain could revolutionize how we conceptualize ocean wave energy conversion - both in terms of ocean wave energy converter design and what we view as viable environments and circumstances for ocean wave energy conversion. The research and development opportunities for the DEEC-Tec domain, therefore, are vast compared to the prevailing mainstream ocean wave energy converter domain. Correspondingly, there are ample opportunities to invest time and money into the DEEC-Tec domain with an aim to enable a paradigm shift in how ocean waves can be utilized as a more viable form of renewable energy. To that end, two seedling efforts have been enacted providing a very cursory investigation into the DEEC-Tec domain: (1) a preliminary simple fabrication/prototyping effort and (2) a preliminary co-design effort. The prototype seedling centers upon the design of a fabrication and evaluation rig for individual DEEC-Tec transducers; e.g., dielectric elastomer generators. The co-design seedling centers upon the analysis of those methods suitable for DEEC-Tec, ocean wave energy conversion, and fluid-structure interaction co-design efforts.

50 EE - Wind and Water Power Program - Water (EE-4↗
NASA NTRS1992

Quantum well, beam deflecting surface emitting lasers

This invention relates to surface emitting semiconductor lasers (SELs), with integrated 45 deg. beam deflectors. A SEL is formed on a wafer including vertical mirrors and 45 deg. beam deflectors formed in grooves by tilted ion beam etching. A SEL is a lattice matched, or unstrained, AlGaAs/GaAs GRINSCH SQW SEL. An alternate embodiment is shown, in which a SEL is lattice mismatched, strained or pseudomorphic, or InGaAs/AlGaAs GRINSCH SQW SEL which emits radiation at a wavelength to which its substrate is transparent. Both SELs exhibit high output power, low threshold current density, and relatively high efficiency, and each are processing compatible with conventional large scale integration technology. Such SELs may be fabricated in large numbers from single wafers. The novel features of this invention include the use of tilted ion beam etching to form a pair of grooves each including vertical mirrors and 45 deg. beam deflectors. The embodiment provides substantial circuit design flexibility because radiation may be coupled both up and/or down through the substrate.

Kim, Jae H.↗
DOE OSTI2024

Demonstration of event position reconstruction based on diffusion in the NEXT-white detector

Noble element time projection chambers are a leading technology for rare event detection in physics, such as for dark matter and neutrinoless double beta decay searches. Time projection chambers typically assign event position in the drift direction using the relative timing of prompt scintillation and delayed charge collection signals, allowing for reconstruction of an absolute position in the drift direction. In this paper, alternate methods for assigning event drift dis tance via quantification of electron diffusion in a pure high pressure xenon gas time projection chamber are explored. Data from the NEXT-White detector demonstrate the ability to achieve good position assignment accuracy for both high and low-energy events. Using point-like energy deposits from 83m Kr calibration electron captures (E ~ 45 keV), the position of origin of low-energy events is determined to 2 cm precision with bias < 1 mm. A convolutional neural network approach is then used to quantify diffusion for longer tracks (E ≥ 1.5 MeV), from radiogenic electrons, yielding a precision of 3 cm on the event barycenter. The precision achieved with these methods indicates the feasibility energy calibrations of better than 1% FWHM at Q ββ in pure xenon, as well as the potential for event fiducialization in large future detectors using an alternate method that does not rely on primary scintillation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Degradation of Poly- and Perfluoroalkyl Substances (PFAS) in Water via High Power, Energy-Efficient Electron Beam Accelerator

The goal of the 2-year workplan was to see if electron beam (EB) could be used to break down a sub-set of the larger chemical family of per and polyfluoroalkylated substances (PFAS) in an energy efficient and economical manner when compared to conventional water treatment technologies. Year one (Y1) work focused on sample EB treatment work in the Fermi National Accelerator Laboratory’s (FNALs) Accelerator Applications Demonstration and Development (A2D2) EB accelerator. While there are reportedly thousands of types of PFAS, for the point of most of the work herein, a small subset was examined, typically perfluorooctane sulfonate (PFOS) and perfluorooctanoate (PFOA). PFOA and PFOS are two of the most well studied PFAS and are studied for baseline evaluations and are considered most useful. The work from Y1 provided information about the optimal operating parameters and additives to use when treating PFOS and PFOA via EB. The data were then used to see where in a water treatment system an EB accelerator would be best suited to treat PFAS. A conventional water treatment technology, GAC, was then compared to e-beam treatment technology with respect to energy and costs for treatment. In year two (Y2), several conventional e-beam accelerator designs, and FNAL’s developmental compact SRF accelerator design, were evaluated for their suitability in PFAS treatment, from an energy efficiency and cost standpoint. Several EB parameters were evaluated and optimized for the removal of PFOA and PFOS from water at normal pressure and temperature, measured as total PFAS removal. Under the optimized test conditions both PFOA showed complete destruction to inorganic fluoride, and PFOS to inorganic fluoride and sulfate, with mass balance. The effect on PFAS removal relative to solution pH, total EB dose, EB dose rate, dissolved oxygen concentration (DO), temperature, and initial PFAS concentration were evaluated. In general, PFOA was easier to destroy than PFOS. Degradation products, typically observed under less-than-optimal EB conditions, provided insight to degradation mechanisms. Products were identified to rule out possible deleterious biproduct formation. The water radiolysis radical reaction kinetics with PFOS and PFOA were not dependent on the initial concentration over 5-orders of magnitude from 2 μg/L to 20 mg/L. This is thought to be because there was an overabundance of the reactive water radiolysis radicals relative to PFAS molecules and largely attributed to aqueous electrons. The reaction rates appeared to be diffusion limited. Testing at higher concentrations (100-200 mg/L) showed a decrease in removal efficiency, suggesting alternative kinetics, possibly second order rates, at higher concentrations. In all, we successfully defined a set of optimal EB parameters to treat PFOA and PFOS at concentrations of 20 mg/L in water with destruction efficiencies near 100%. We further tested the optimized EB parameters with other types of PFAS, including shorter and longer fluorocarbon chain homologs of PFOA and PFOS, and PFAS with alternative functional groups such as sulfonamides. Based on our results EB can be optimized as an effective destructive technology for removing PFAS from water. The conditions optimized for PFOA and PFOS were less effective with ultra-short fluorocarbon compounds like TFMS, PFES, PFPS and PFBS, and likely require re-optimization of parameters to them. In all, it was determined that from a cost and energy efficiency standpoint, EB would be best applied to waste streams with relatively high concentrations of PFOS and PFOA and is not as cost effective as GAC treatment for removing low concentrations of PFAS from water. Higher concentrations of PFAS can be found in the wastewater of conventional treatment processes such as RO and IE and therefore EB may be used to supplement such treatment technologies. Some real-world IE regeneration wash water and RO reject water containing higher concentrations of PFAS and obtained from pilot scale industrial wastewater treatment system at a fluorochemical manufacturing facility, showed that EB could remove PFAS from such types of wastewaters. The IE regenerant wash water appeared to be the most efficient of the two types of wastewaters tested. However, some further optimization of the EB parameters for the specific PFAS types present in those wastewaters may be required. Also, the effects of co-present TOC and mineral salts should be considered during such optimization efforts. From the experimental Y1 results it was seen that the aqueous electron drives degradation of the PFAS. In a hypothetical water treatment skid using EB for PFAS destruction the parameters of the system should be optimized to promote aqueous electron production. Before EB treatment, the PFAS should be preconcentrated when possible, the pH should be raised to pH 10 or higher to enhance aqueous electron production, and the water should be nitrogen purged to remove dissolved oxygen to minimize aqueous electron scavenging. An excel spreadsheet was created that calculates optimal conditions based on inlet PFAS concentration and desired outlet concentration, by optimizing the accelerator power, dose rate, water treatment rate, pH and dissolved oxygen levels to reach the desired endpoint. Given this information on accelerator operating conditions five different EB accelerator systems were compared. One EB system was a continuous-wave, linear superconducting accelerator being designed at Fermilab. Three other EB systems (IMPELA at 5% and 25% duty factor and the ILU-14) were normal conducting pulsed linear accelerators. The fifth system was an IBA Rhodotron which is a normal conducting, circular, continuous-wave accelerator. The accelerator efficiency (% of the incoming power that is used in water treatment) was the dominating factor in accelerator choice. The radio frequency (RF) power supply and the accelerator design (superconducting versus warm technology) drive the accelerator efficiency. The IBA Rhodotron was seen to be the most energy efficient commercially available technology with a wall-plug (total) power efficiency of 43% at 400 kW. The Fermilab design, with a prototype for a different application currently being fabricated, was the most energy efficient at 55% when driven by a Klystron RF power supply and as high as 77% when powered by a magnetron. As the Fermilab design was the most energy efficient by approximately 10-30%, further design work was done on the accelerator and beam delivery system specific to the destruction of PFAS in water. The Fermilab design is unique from industrial accelerators in that is superconducting. Superconducting technology allows for the acceleration of electrons without losses. The accelerator must be cooled to below the point where it is superconducting and is operated around 4 degrees Kelvin. The bulk of the design work for the accelerator is on making the accelerator as energy efficient as possible so that it does not require liquid helium and can be cooled with conduction cooling via cryocoolers. Final design work resulted in an EB accelerator that would operate at minimally 200 kW and 10 MeV. Prototype construction would cost $\$ $7.8 million dollars when driven by a Klystron power supply. A second version of the same accelerator would cost $\$ $5.5 million dollars when driven by a magnetron that is still under development. The commercially available 300 kW IBA Rhodotron cost was estimated at approximately $\$ $9 million. While it is hard to directly compare, an operational GAC system used by 3M for groundwater treatment capital cost (2022 dollars) was estimated to cost $\$ $3.3 million. While the capital expense of the EB accelerator systems was higher than GAC, the accelerator EB treatment would result in destruction of the PFAS and not just sequestration of PFAS to form a new waste stream that requires further treatment or disposal. The operating cost to destroy the PFAS via 400 kw EB system was less than $\$ $1000/kg of PFAS destroyed when treating at a 20 mg/L PFAS concentration, compared to GAC with operating costs that calculated at $\$ $27,530 per kg of PFAS sequestered when treating 100 μg/L PFOA and PFOS combined concentration.

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

Unlocking AlN Piezoelectric Performance with Earth‐Abundant Dopants

Abstract The increasing demand for high‐performance piezoelectric materials and toxicity and thermal stability issues of the widely used lead zirconate titanates (PZT) have spurred a search for better alternatives in electronic devices. In comparison to PZT, group III nitrides such as aluminum nitride (AlN), are only weakly piezoelectric, but doping AlN with scandium (Sc) improves the piezoelectric response by nearly 500%. Relative to PZT, doped‐AlN piezoelectric materials are advantageous because they are far more compatible with complementary metal–oxide–semiconductor (CMOS) materials, and they maintain both piezoelectric and thermodynamic stability up to very high temperatures. Unfortunately, rare‐earth metals are notoriously expensive, and fabricating stable films with rare‐earth dopants is also challenging, limiting their use in industrial applications. In this work, ab initio calculations are combined with targeted fabrication and experimentation to identify alternative earth‐abundant dopants for AlN from the periodic table d‐block. Amongst the 23 elements screened, it is found that group IVB metals, titanium, zirconium, and hafnium induce large piezoelectric enhancements comparable to Sc. This improvement is traced to shifts in the atomic sublattice structure and changes in the local charge states. In demonstrating a highly accessible and affordable path for technological adaptation of AlN‐based piezoelectrics, this work provides the foundation for sustainable, next‐generation electronics.

Startt, Jacob↗
DOE OSTI2023

Extraction, Separation, and Production of High Purity Rare Earth Elements and Critical Minerals from Coal-Based and Related Resources

The general objectives of this project are to develop concepts for rare earth metal and critical mineral production from coal-based and related (minerals associated with coal) resources and incorporate them into a Technical Research Plan with an associated overall flow sheet. The project team has extensive expertise in market evaluation, mineral separation, leaching, chemical separations, alternative metallothermic reaction technology, electrowinning, and electrorefining that was critical to the success of the proposed project. The project included critical industrial partners needed for project success. The project team has extensive expertise in market evaluation, mineral separation, leaching, chemical separations, alternative reduction technology, electrowinning, and electrorefining as well as appropriate pilot-scale facilities to enable this project. The project encompassed broader opportunities for developing domestic resources of REE/CM materials for a more resilient, diverse, and secure supply chain for REE/CM materials with built-in redundancies and appropriate resource stockpiles. The production of REE/CM materials will help to revitalize and rebuild world-class American manufacturing capacity and the related workforce through new jobs and infrastructure. Furthermore, due to the nature and location of the production sites, economic growth in diverse communities of color and economically distressed areas will be cultivated. Finally, this technology can be applied to reuse and remediate coal waste tailings for REE/CM production.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Determining Proton Transport in Pseudo Catalyst Layers Using Hydrogen Pump DC and AC Techniques

Optimizing electrode morphology with a more uniform ionomer distribution is key to reducing ohmic losses and increasing electrocatalyst utilization in polymer electrolyte fuel cells (PEFCs). Inherent ionomer conductivity, volume fraction and tortuosity determine effective ionic conductivity. We use hydrogen pump (HP) method to measure effective ionic conductivity of a pseudo catalyst layer (PCL) comprised of Vulcan XC-72 carbon black and 3M 825 EW ionomer with ionomer to carbon (I/C) ratios of 0.6, 1 and 1.4 and relative humidity (RH) range of 50 to 120%. These direct current (DC) experiments are then compared with electrochemical impedance spectroscopy (EIS). Both DC and EIS methods show good agreement, indicating that EIS can be used as an alternative to DC method in HP experiment. Ionic conductivity for PCL with I/C of 1 and 1.4 was found to be about one order of magnitude higher than I/C of 0.6 for most of the RH range. At 90% RH tortuosities for I/C = 1 and 1.4 were close to 1, whereas tortuosity for I/C = 0.6 was 3. With decrease in relative humidity tortuosities increased linearly and at 50% relative humidity a PCL with I/C = 0.6 had the highest tortuosity of 6.1.

25 ENERGY STORAGE↗
DOE OSTI2026

Assessing metal nitrides and metal carbides as supports for thermally stable single-atom catalysts

Single-atom catalysts supported on metal oxides have been demonstrated to exhibit exceptional activity while also maintaining single-atom stability. However, alternative supports such as metal nitrides and carbides have received far less attention. Herein, we use density functional theory to systematically investigate the relative thermal stability of single-atom catalysts over a host of transition metal nitride and carbide supports. By considering the binding and dimerization energies of isolated transition metal atoms across various surface facets, we identify transition metal/support pairs that show the most promise for high-density single-atom catalysts. We find that transition metal atoms can be stabilized on both defect sites and pristine surfaces over transition metal nitrides and carbides. Furthermore, we identify promising metal/support pairings that may be suitable for achieving both stable and high-density single-atom catalysts. Furthermore, these results provide valuable insights to guide synthesis efforts towards achieving stable single-atom transition metal catalysts.

Density functional theory↗
DOE OSTI2018

Health co-benefits from air pollution and mitigation costs of the Paris Agreement: a modelling study

While the co-benefits from addressing both climate change and air pollution related problems have been clearly recognized, there is not much evidence comparing the mitigation costs and economic benefits of air pollution reduction for alternative scenarios to reduce greenhouse gases. This study analyses the extent to which the health co-benefits would compensate the mitigation cost of achieving the targets of Paris Agreement (2ºC and 1·5ºC) under different scenarios where the emissions abatement effort is shared between countries according to three established equity criteria.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Reply to: “Pitfalls in identifying active catalyst species”

In Pereira-Hernández et al., we reported the influence of the high-temperature vapor-phase synthesis method (also called atom trapping, or AT) on the activity for CO oxidation of a Pt/CeO 2 catalyst, compared to a conventional synthesis method (strong electrostatic adsorption, or SEA). The findings suggest that the AT method leads to increased activity compared to the SEA method, and this is related to improved redox properties of the support at low temperature. Recently, Ren and Chen questioned the interpretation of the results and suggested alternative explanations for the findings. However, as addressed in this paper, we are firmly of the opinion that the original analysis, results, and conclusions provided in Pereira-Hernández et al. are valid and accurately explain the phenomena observed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗