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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Light regulation of light-harvesting antenna size substantially enhances photosynthetic efficiency and biomass yield in green algae

One of the major factors limiting biomass productivity in algae is the low thermodynamic efficiency of photosynthesis. The greatest thermodynamic inefficiencies in photosynthesis occur during the conversion of light into chemical energy. At full sunlight the light-harvesting antenna captures photons at a rate nearly 10 times faster than the rate-limiting step in photosynthetic electron transport. Excess captured energy is dissipated by non-productive pathways including the production of reactive oxygen species. Substantial improvements in photosynthetic efficiency have been achieved by reducing the optical cross-section of the light-harvesting antenna by selectively reducing chlorophyll b levels and peripheral light-harvesting complex subunits. Smaller light-harvesting antenna, however, may not exhibit optimal photosynthetic performance in low or fluctuating light environments. Additionally, we describe a translational control system to dynamically adjust light-harvesting antenna sizes for enhanced photosynthetic performance. Furthermore, by expressing a chlorophyllide a oxygenase (CAO) gene having a 5' mRNA extension encoding a Nab1 translational repressor binding site in a CAO knockout line it was possible to continuously alter chlorophyll b levels and correspondingly light-harvesting antenna sizes by light-activated Nab1 repression of CAO expression as a function of growth light intensity. Significantly, algae having light-regulated antenna sizes had substantially higher photosynthetic rates and two-fold greater biomass productivity than the parental wild-type strains as well as near wild-type ability to carry out state transitions and non-photochemical quenching. These results have broad implications for enhanced algae and plant biomass productivity.

09 BIOMASS FUELS↗
DOE OSTI2020

Sound Speed as a Candidate for Internal Temperature Monitoring During Solid Phase Processing of Materials

Internal temperature is an important parameter for understanding the solid phase processing (SPP) of materials and improving feedback control of these processes. Friction stir processes, shear assisted processing and extrusion (ShAPE ™ ), and ultrahigh velocity (UHV) cold spray are examples of such processes. Simple thermal models based on temperatures measured at the boundary of the deforming body cannot capture the dynamic nature of temperature generation within the deforming solid. One possibly way of understanding internal temperature is by measuring sound speed, which varies as a function of temperature for materials and directing ultrasonic wave propagation through selected material volumes of interest. In this project, longitudinal wave speed is estimated for aluminum 6061. Piezoelectric materials bonded to a specimen provided data from which longitudinal wave speed was estimated. A discussion evaluated the linear relationship of wave speed versus temperature and postulated how wave speed measurements could be used to estimate the internal temperature of selected material volumes for feedback during SPP of materials. Instrumentation, data and analysis, and a discussion are reviewed.

36 MATERIALS SCIENCE↗
NASA NTRS2013

Aerodynamic Stability and Performance of Next-Generation Parachutes for Mars Descent

The Low Density Supersonic Decelerator Project is developing a next-generation supersonic parachute for use on future Mars missions. In order to determine the new parachute configuration, a wind tunnel test was conducted at the National Full-scale Aerodynamics Complex 80- by 120-foot Wind Tunnel at the NASA Ames Research Center. The goal of the wind tunnel test was to quantitatively determine the aerodynamic stability and performance of various canopy configurations in order to help select the design to be flown on the Supersonic Flight Dynamics tests. Parachute configurations included the diskgap- band, ringsail, and ringsail-variant designs referred to as a disksail and starsail. During the wind tunnel test, digital cameras captured synchronized image streams of the parachute from three directions. Stereo hotogrammetric processing was performed on the image data to track the position of the vent of the canopy throughout each run. The position data were processed to determine the geometric angular history of the parachute, which were then used to calculate the total angle of attack and its derivatives at each instant in time. Static and dynamic moment coefficients were extracted from these data using a parameter estimation method involving the one-dimensional equation of motion for a rotation of parachute. The coefficients were calculated over all of the available canopy states to reconstruct moment coefficient curves as a function of total angle of attack. From the stability curves, useful metrics such as the trim total angle of attack and pitch stiffness at the trim angle could be determined. These stability metrics were assessed in the context of the parachute's drag load and geometric porosity. While there was generally an inverse relationship between the drag load and the stability of the canopy, the data showed that it was possible to obtain similar stability properties as the disk-gap-band with slightly higher drag loads by appropriately tailoring the geometric porosity distribution.

Low Density Supersonic Decelerator (LDSD)↗
NASA NTRS2018

Creating Innovative Frameworks to Spur Cultural Change at NASA Armstrong Flight Research Center

Changing the culture of an organization is a monumental task that often takes years and has no set formula. Steps can be taken, however, to spur cultural change by creating spaces and infrastructure to serve as the initial driving force. An innovation space and a bicycle sharing (bike share) program were implemented at the National Aeronautics and Space Administration (NASA) Armstrong Flight Research Center (AFRC) (Edwards, California) with a vision toward connecting Center personnel, fostering collaboration and innovation, retaining newer employees, promoting flexibility, and improving the culture and workplace atmosphere. This paper discusses the steps taken, challenges faced, novel culture-change-focused design elements, lessons learned, acquired metrics, and how these initiated cultural change at AFRC. For both the innovation space and the bike share program, funding was negotiated and provided through the NASA Convergent Aeronautics Solutions (CAS) project, which was seeking to improve the innovation and collaboration capabilities at each of the four NASA aeronautics Centers. Key stakeholders across AFRC from upper management, facilities, safety, engineering, and procurement were identified early in the process and were consulted and included throughout execution to ensure that any encountered roadblocks could be easily navigated. Research was then conducted by attending conferences and visiting culture-changing organizations both inside and outside United States Government agencies. Distilling the research, identifying available space, and deciding on specific design elements for the space was conducted by a subset of individuals of diverse backgrounds to enable quick, effective decision-making. Decisions were made with the intent to increase usage and diversity of users of the space; care was taken to ensure a well-crafted atmosphere that would foster the desired culture change. The allocated physical space required major structural modifications, new furniture, and new capabilities that would bring people in. Decisions and desires underwent a rapid reiterative process in order to stay within budget and short deadlines, while holding firm to what was seen as fundamental elements of an innovation space. The framework for cultural change being established, the more difficult task began: incubating the desired culture. Intentional workday use of the innovation space was encouraged, and organized events coordinated in order to truly foster culture change. Such incubation supports the organic spread of culture change to all areas of AFRC. This framework was complemented and expanded by the implementation of the bike share program. Steps for implementation included bike selection based on lessons learned, creating bike stations and signage, implementing bike share rules, and building a volunteer maintenance infrastructure. A novel user-reporting feedback system at each bike station is a low-impact method of capturing usage metrics. Due to the nature of the work conducted at AFRC, the bike share program and feedback system were negotiated and vetted through various organizations including legal, safety, and operations. The innovation space and the bike share program together are an effective initial framework for innovation and collaboration. Culture change takes time, but the innovation space and the bike share program are already showing signs of making a positive impact on the AFRC workforce.

rooms↗
NASA NTRS2024

Harnessing Collaborative Learning Automata to Guide Multi-objective Optimization based Inverse Analysis for Structural Damage Identification

Structural damage identification based on physical models is often transformed into an optimization problem that minimizes the difference between measurement information of structure being monitored and the model prediction in the parametric space. However, the objective function in this context often exhibits multimodality, involving high-dimensional variables due to the reliance on finite element models for damage identification. These features pose challenges to optimization algorithms, where entrapment in local solutions can lead to false positives and false negatives in damage identification. In this research, we propose a reinforcement learning based multi-swarm optimizer to tackle such challenges in pursuit of a small yet diverse solution set that can capture the true damage scenario as one of the solutions. The proposed method leverages the flexibility of the particle swarm optimizer and incorporates novel strategies of metaheuristics to realize targeted improvement. To enable the particle swarm to adaptively select the appropriate search strategy based on the current environment, we adopt the learning automata technique, which sidesteps the need for reward strategy selection that is usually ad hoc at each step of the search. The integration harnesses the automatic learning and self-adaptation capabilities of learning automata, enabling the particles to navigate based on environmental signals. This leads to accumulated probabilities tied to advantageous movements, fostering an adaptive exploration of particles in the search space. The proposed approach is first validated through implementing into benchmark test cases with comparisons. It is then applied to structural damage identification with piezoelectric admittance experimental signals. `The results highlight the capability of the algorithm to identify a small solution set with high accuracy to match the actual damage scenario.

Yang Zhang↗
NASA NTRS1977

Analytical formulation of selected activities of the remote manipulator system

Existing analysis of Orbiter-RMS-Payload kinematics were surveyed, including equations dealing with the two body kinematics in the presence of a massless RMS and compares analytical explicit solutions with numerical solutions. For the following operational phases of the RMS numerical demonstration, problems are provided: (1) payload capture; (2) payload stowage and removal from cargo bay; and (3) payload deployment. The equation of motion provided accounted for RMS control forces and torque moments and could be extended to RMS flexibility and control loop simulation without increasing the degrees of freedom of the two body system.

K J Zimmerman↗
NASA NTRSDate not supplied

The Comet Astrobiology Exploration Sample Return (CAESAR) Mission

The Comet Astrobiology Exploration Sample Return (CAESAR) mission will acquire and return to Earth for laboratory analysis a minimum of 80 grams of surface material from the nucleus of comet 67P/Chur-yumov-Gerasimenko (67P). CAESAR will characterize the surface region sampled, preserve the collected sample in a pristine state, and return evolved volatiles by capturing them in a separate gas reservoir. NASA Goddard Space Flight Center provides project management, systems engineering, safety and mission assurance, contamination control, mission operations, and many other important functions. Northrop Grumman Space Systems will build the spacecraft, based on Dawn mission heritage, which like CAESAR, uses solar electric propulsion. CAESAR was selected by for Phase A study in the New Frontiers 4 Competition and will be proposed to New Frontiers 5.Collection of a sample from the surface of comet 67P is facilitated by a set of cameras that together provide images to support sample site selection, perform optical navigation, and document the sample before, during, and after col-lection. The sample is collected at the end of an arm during a 5-second touch-and-go (TAG) maneuver with the Sample Acquisition System (SAS)designed by Honeybee Robotics for the surface properties of comet 67P observed by the Rosetta mission. After sample collection, and while the sample is still cold (< -80°C), the TAG Arm inserts the sample container into the Sample Containment System (SCS) mounted inside the Sample Return Capsule (SRC). The SCS is sealed, preventing the sample from escaping into space. The sample is slowly warmed inside the SCS to enable sublimation of volatiles, which are collected in the Gas Containment System (GCS), a passively cooled gas reservoir. Separating the volatiles from the solid sample protects the solid sample from alteration. Once all sublimated H2O is transferred to the GCS, the GCS is sealed to capture the volatile sit contains, and the SCS is vented to space to maintain the solid sample under vacuum. The SCS vent is closed before Earth entry to prevent atmospheric contamination. Detailed laboratory analyses of the sample from 67P will trace the history of volatile reservoirs, delineate the chemical pathways that led from simple interstellar species to complex molecules, constrain the evolution of the comet, and evaluate the role of comets in delivering water and prebiotic organics to the early Earth. CAESAR will achieve these goals by carrying out coordinated sample analyses that will link macroscopic properties of the comet with microscale mineralogy, chemistry, and isotopic studies of volatiles and solids. Most of the sample (≥75%) will be set aside for analyses by generations of scientists using continually advancing tools and methods, yielding an enduring scientific treasure that only sample return can provide. This presentation will review development conducted during NF4 Phase A and discuss the NF5 mission concept.

A G Hayes↗
DOE OSTI2022

Interfacial interactions between polymers and selective adsorbents influence ion transport properties of boron scavenging ion-exchange membranes

The recent emergence of adsorptive ion-exchange membranes (IEMs), designed by the synergistic integration of highly selective porous aromatic frameworks (PAFs) with ion-exchange polymers, has enabled simultaneous desalination and targeted removal of specific solutes (e.g., mercury, iron, boron, etc.). While the addition of highly selective PAFs to IEMs yields membranes with entirely new functions, PAF-polymer interactions, and the effects of such interactions on ion transport properties of the membranes, are not well understood. In this study, we developed cross-linked adsorptive cation- and anion-exchange membranes (CEMs and AEMs) for simultaneous desalination and boron removal via in-situ formation of the cross-linked polymer network around the boron selective PAF particles. Here we systematically investigated the influence of PAF loading level on PAF-polymer interactions as well as the equilibrium and transport properties of the adsorptive IEMs. The interactions between the PAF and the ion-exchange polymer matrix differed for the CEMs and AEMs due to differences in the fixed charge group chemistry. Notably, the sulfonate groups of the CEMs can form hydrogen bonds with the hydroxyl groups of the PAF, while the quaternary ammonium groups in the AEMs cannot. These differences in interfacial interactions did not significantly impact counter-ion transport across the adsorptive IEMs but had a significant influence on co-ion transport, which affected the counter-ion/co-ion selectivity of the membranes. The selectivity of the adsorptive CEMs decreased while that of the adsorptive AEMs increased with PAF loading level. The results of this study underscore the importance of controlling interfacial interactions when designing adsorptive IEMs for simultaneous water desalination and solute capture and recovery.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Clicking the Surface of Poly[1-(trimethylsilyl)propyne] (PTMSP) via a Thiol–Ene Reaction: Unexpected CO 2 /N 2 Permeability

The surface modification of poly[1-(trimethylsilyl)- propyne] (PTMSP) film via a thiol-ene click reaction with sodium 3-mercapto-1-propanesulfonate has yielded membranes having a CO 2 permeance as high as 530 GPU with a CO 2 /N 2 selectivity of 21. This level of performance, together with the simplicity of this surface modification, indicates that such materials could become viable alternatives to some of the most enticing membrane materials that are currently being explored for the practical capture of CO 2 from flue gas.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Transparent window 2D IR spectroscopy of proteins

Proteins are complex, heterogeneous macromolecules that exist as ensembles of interconverting states on a complex energy landscape. A complete, molecular-level understanding of their function requires experimental tools to characterize them with high spatial and temporal precision. Infrared (IR) spectroscopy has an inherently fast time scale that can capture all states and their dynamics with, in principle, bond-specific spatial resolution. Two-dimensional (2D) IR methods that provide richer information are becoming more routine but remain challenging to apply to proteins. Spectral congestion typically prevents selective investigation of native vibrations; however, the problem can be overcome by site-specific introduction of amino acid side chains that have vibrational groups with frequencies in the “transparent window” of protein spectra. This Perspective provides an overview of the history and recent progress in the development of transparent window 2D IR of proteins.

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

Microbial β-glucuronidases drive human periodontal disease etiology

Periodontitis is a chronic inflammatory disease associated with persistent oral microbial dysbiosis. The human β-glucuronidase (GUS) degrades constituents of the periodontium and is used as a biomarker for periodontitis severity. However, the human microbiome also encodes GUS enzymes, and the role of these factors in periodontal disease is poorly understood. Here, we define the 53 unique GUSs in the human oral microbiome and examine diverse GUS orthologs from periodontitis-associated pathogens. Oral bacterial GUS enzymes are more efficient polysaccharide degraders and processers of biomarker substrates than the human enzyme, particularly at pHs associated with disease progression. Using a microbial GUS-selective inhibitor, we show that GUS activity is reduced in clinical samples obtained from individuals with untreated periodontitis and that the degree of inhibition correlates with disease severity. Together, these results establish oral GUS activity as a biomarker that captures both host and microbial contributions to periodontitis, facilitating more efficient clinical monitoring and treatment paradigms for this common inflammatory disease.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1990

A discrepancy within primate spatial vision and its bearing on the definition of edge detection processes in machine vision

The visual perception of form information is considered to be based on the functioning of simple and complex neurons in the primate striate cortex. However, a review of the physiological data on these brain cells cannot be harmonized with either the perceptual spatial frequency performance of primates or the performance which is necessary for form perception in humans. This discrepancy together with recent interest in cortical-like and perceptual-like processing in image coding and machine vision prompted a series of image processing experiments intended to provide some definition of the selection of image operators. The experiments were aimed at determining operators which could be used to detect edges in a computational manner consistent with the visual perception of structure in images. Fundamental issues were the selection of size (peak spatial frequency) and circular versus oriented operators (or some combination). In a previous study, circular difference-of-Gaussian (DOG) operators, with peak spatial frequency responses at about 11 and 33 cyc/deg were found to capture the primary structural information in images. Here larger scale circular DOG operators were explored and led to severe loss of image structure and introduced spatial dislocations (due to blur) in structure which is not consistent with visual perception. Orientation sensitive operators (akin to one class of simple cortical neurons) introduced ambiguities of edge extent regardless of the scale of the operator. For machine vision schemes which are functionally similar to natural vision form perception, two circularly symmetric very high spatial frequency channels appear to be necessary and sufficient for a wide range of natural images. Such a machine vision scheme is most similar to the physiological performance of the primate lateral geniculate nucleus rather than the striate cortex.

Jobson, Daniel J.↗
NASA NTRS2004

Dust Accumulation and Solar Panel Array Performance on the Mars Exploration Rover (MER) Project

One of the most fundamental design considerations for any space vehicle is its power supply system. Many options exist, including batteries, fuel cells, nuclear reactors, radioisotopic thermal generators (RTGs), and solar panel arrays. Solar arrays have many advantages over other types of power generation. They are lightweight and relatively inexpensive, allowing more mass and funding to be allocated for other important devices, such as scientific instruments. For Mars applications, solar power is an excellent option, especially for long missions. One might think that dust storms would be a problem; however, while dust blocks some solar energy, it also scatters it, making it diffuse rather than beamed. Solar cells are still able to capture this diffuse energy and convert it into substantial electrical power. For these reasons, solar power was chosen to be used on the 1997 Mars Pathfinder mission. The success of this mission set a precedent, as NASA engineers have selected solar power as the energy system of choice for all future Mars missions, including the Mars Exploration Rover (MER) Project. Solar sells have their drawbacks, however. They are difficult to manufacture and are relatively fragile. In addition, solar cells are highly sensitive to different parts of the solar spectrum, and finding the correct balance is crucial to the success of space missions. Another drawback is that the power generated is not a constant with respect to time, but rather changes with the relative angle to the sun. On Mars, dust accumulation also becomes a factor. Over time, dust settles out of the atmosphere and onto solar panels. This dust blocks and shifts the frequency of the incoming light, degrading solar cell performance. My goal is to analyze solar panel telemetry data from the two MERs (Spirit and Opportunity) in an effort to accurately model the effect of dust accumulation on solar panels. This is no easy process due to the large number of factors involved. Changing solar flux (the amount of solar energy reaching the planet), solar spectrum, solar angle, rover tilt, and optical depth (the opacity of the atmosphere due to dust) were the most significant. Microsoft Excel and Visual Basic are used for data analysis. The results of this work will be used to improve the dust accumulation and atmosphere effects model that was first created after the Mars Pathfinder mission. This model will be utilized and applied when considering the design of solar panel array systems on future Mars projects. Based on this data, and depending upon the tenure and application of the mission, designers may also elect to employ special tools to abate dust accumulation, or decide that the expected level of accumulation is acceptable.

Turgay, Eren H.↗
NASA NTRS2017

Stabilized Finite Elements in FUN3D

A Streamlined Upwind Petrov-Galerkin (SUPG) stabilized finite-element discretization has been implemented as a library into the FUN3D unstructured-grid flow solver. Motivation for the selection of this methodology is given, details of the implementation are provided, and the discretization for the interior scheme is verified for linear and quadratic elements by using the method of manufactured solutions. A methodology is also described for capturing shocks, and simulation results are compared to the finite-volume formulation that is currently the primary method employed for routine engineering applications. The finite-element methodology is demonstrated to be more accurate than the finite-volume technology, particularly on tetrahedral meshes where the solutions obtained using the finite-volume scheme can suffer from adverse effects caused by bias in the grid. Although no effort has been made to date to optimize computational efficiency, the finite-element scheme is competitive with the finite-volume scheme in terms of computer time to reach convergence.

Anderson, W. Kyle↗
NASA NTRS2016

Atmospheric Mining in the Outer Solar System: Outer Planet Orbital Transfer and Lander Analyses

Atmospheric mining in the outer solar system has been investigated as a means of fuel production for high energy propulsion and power. Fusion fuels such as Helium 3 (3He) and deuterium can be wrested from the atmospheres of Uranus and Neptune and either returned to Earth or used in-situ for energy production. Helium 3 and deuterium were the primary gases of interest with hydrogen being the primary propellant for nuclear thermal solid core and gas core rocket-based atmospheric flight. A series of analyses were undertaken to investigate resource capturing aspects of atmospheric mining in the outer solar system. This included the gas capturing rate, storage options, and different methods of direct use of the captured gases. While capturing 3He, large amounts of hydrogen and 4He are produced. Analyses of orbital transfer vehicles (OTVs), landers, and the issues with in-situ resource utilization (ISRU) mining factories are included. Preliminary observations are presented on near-optimal selections of moon base orbital locations, OTV power levels, and OTV and lander rendezvous points. For analyses of round trip OTV flights from Uranus to Miranda or Titania, a 10-Megawatt electric (MWe) OTV power level and a 200-metric ton (MT) lander payload were selected based on a relative short OTV trip time and minimization of the number of lander flights. A similar optimum power level is suggested for OTVs flying from low orbit around Neptune to Thalassa or Triton. Several moon base sites at Uranus and Neptune and the OTV requirements to support them are also addressed.

rocket propulsion↗
NASA NTRS2016

Atmospheric Mining in the Outer Solar System: Outer Planet Orbital Transfer and Lander Analyses

Atmospheric mining in the outer solar system has been investigated as a means of fuel production for high energy propulsion and power. Fusion fuels such as Helium 3 (3He) and deuterium can be wrested from the atmospheres of Uranus and Neptune and either returned to Earth or used in-situ for energy production. Helium 3 and deuterium were the primary gases of interest with hydrogen being the primary propellant for nuclear thermal solid core and gas core rocket-based atmospheric flight. A series of analyses were undertaken to investigate resource capturing aspects of atmospheric mining in the outer solar system. This included the gas capturing rate, storage options, and different methods of direct use of the captured gases. While capturing 3He, large amounts of hydrogen and 4He are produced. Analyses of orbital transfer vehicles (OTVs), landers, and the issues with in-situ resource utilization (ISRU) mining factories are included. Preliminary observations are presented on near-optimal selections of moon base orbital locations, OTV power levels, and OTV and lander rendezvous points. For analyses of round trip OTV flights from Uranus to Miranda or Titania, a 10- Megawatt electric (MWe) OTV power level and a 200 metricton (MT) lander payload were selected based on a relative short OTV trip time and minimization of the number of lander flights. A similar optimum power level is suggested for OTVs flying from low orbit around Neptune to Thalassa or Triton. Several moon base sites at Uranus and Neptune and the OTV requirements to support them are also addressed.

lunar mission design↗
NASA NTRS2019

Observations of Non-Spherical, Graphite-Epoxy Projectiles Impacting a Thermally-Insulated, Double-Wall Shield

The DebriSat hypervelocity impact experiment, performed at the Arnold Engineering Development Center (U.S.A.F. Arnold Air Force Base), is intended to update the catastrophic break-up models for modern satellites. To this end, the DebrisSat was built with many modern materials including structural panels of carbon-fiber, reinforced polymer (CFRP). Subsequent to the experiment, fragments of the DebrisSat have been extracted from porous, catcher panels used to gather the debris from the impact event. Thus far, one of the key observations from the collected fragments is that CFRP represents a large fraction of the fragments and that these fragments tend to be thin, flake-like structures or long, needle-like structures; whereas, debris with nearly equal dimensions is less prevalent. As current ballistic-limit models are all developed based upon spherical impacting particles, the experiment has pointed to a missing component in the current approach that must be considered. To begin to understand the implications of this observation, simulations like those shown in Fig. 1 have been performed using cylindrical structures at a representative orbital speed into an externally-insulated, double-wall shield that is representative of shielding of International-Space-Station-visiting vehicles. These simulations have been performed for normal impacts to the surface with three different angles-of-attack (AOA) to capture the effect on the shield performance. This paper documents the simulated shield and the models developed to study the effect of non-spherical fragments, as well as, derives the critical characteristics of CFRP impacting particles for the selected shield as shown in Fig. 2. To assist with the design of the updated debris models, this work summarizes the simulated results into a deployable form for evaluating the relative importance of fragment structures.

Miller, Joshua E.↗
DOE OSTI2025

NiAl–MoO 2 S 2 Nanoparticles: Structural Evolution and Mechanistic Insights into High-Performance Selenium Oxyanion Removal across Diverse pH Conditions

Advancing sorbent materials for the selective removal of toxic oxyanions from water requires synthetic control, tunable chemistry, and an atomic-level understanding of structure–function relationships. Here, we report the synthesis and detailed characterization of NiAl–MoO 2 S 2 , a novel layered double hydroxide (LDH) nanomaterial designed for the efficient sequestration of selenium oxoanions (SeO 3 2– and SeO 4 2– ) from complex aqueous environments. The material is synthesized through a room-temperature ion-exchange process, wherein interlayer NO 3 – anions in NiAl–LDH are replaced with MoO 2 S 2 2– clusters, forming high-surface-area, flower-like nanoparticles. Comprehensive structural analysis using the synchrotron X-ray pair distribution function, X-ray absorption spectroscopy, and X-ray photoelectron spectroscopy reveals a distinct chemical transformation of intercalated [MoO 2 S 2 ] 2– into [Mo 2 O 2 S 6 ] 2– -like clusters, generating redox-active interlayers that drive selenium capture. This tailored interfacial chemistry underpins the material’s exceptional sorption performance, achieving distribution coefficients (K d ) ≥ 10 6 mL/g and maximum capacities of 343 mg/g for SeO 4 2– and 514 mg/g for SeO 3 2– , outperforming state-of-the-art inorganic sorbents. Importantly, NiAl–MoO 2 S 2 maintains high selectivity and capacity across acidic, neutral, and alkaline pH, efficiently removing selenium from ppm to sub-10 ppb trace levels, even in the presence of competing ions typical of natural and industrial waters. The selenium uptake proceeds via reductive precipitation coupled with the oxidation of molybdenum and sulfide within the LDH framework. This study highlights the power of strategic synthetic modification and interlayer functionalization in LDHs to unlock new structural motifs and redox chemistries, offering a scalable route to advanced materials for environmental remediation.

Adsorption↗