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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Room-Temperature Methane Oxidation to Formaldehyde Mediated by CoMoO + Gas-Phase Cations

Formaldehyde (HCHO) is a fundamental chemical feedstock with widespread industrial applications. The direct oxidation of methane by oxygen to formaldehyde (CH 4 + 1/2O 2 → H 2 + HCHO) under mild conditions represents an attractive but challenging transformation, as it requires both activation of the inert C–H bonds of CH 4 and suppression of overoxidation to products such as carbon dioxide. In this work, mass spectrometry experiments combined with theoretical calculations reveal that CoMoO + cations can efficiently mediate this transformation at room temperature. The unique electronic structure of CoMoO + facilitates the formation of a crucial CoMoOCH 2 + intermediate during the reaction with CH 4 and prevents methanol formation. In the subsequent oxidation reaction, the Mo atom in CoMoO + serves as the active site for O 2 adsorption, and both Mo and Co atoms act as electron donors to activate O 2 , leading to the formation of the C–O bond in formaldehyde. This work reports the first gas-phase example of achieving conversion of CH 4 to HCHO and its radical derivatives by O 2 at room temperature using heteronuclear non-noble metal cations. Remarkably, the CoMoOCH 2 + cation maintains high reactivity after adsorbing one or two CH 4 molecules. Finally, these findings provide new mechanistic insights into selective methane activation and conversion.

aldehydes↗
DOE OSTI2025

Two-step spin-coating of vacancy-ordered double perovskites enables growth of thin films for electronic devices

Vacancy-ordered double perovskites (VODPs), such as Cs 2 TeX 6 (X = Cl, Br, I), are lead-free alternatives to conventional metal-halide perovskites (MHPs). One limitation of VODPs is the lack of processes to form thin films relevant for physical characterization and electronic devices. A two-step spin-coating method was developed for synthesizing high-quality films of Cs 2 TeBr 6 . Independently depositing CsBr and TeBr 4 enables high precursor concentrations and control over crystallization kinetics. By optimizing the spin-coating parameters, conversion of precursors to phase pure films was observed using structural and surface characterization methods. The growth of mixed-halide systems was investigated using alternative salts including CsCl and CsI. The formation of halide alloys was found to depend on the existence of routes to byproducts. Lastly, single carrier diodes of Cs2TeBr6 were designed following valence band characterization with photoelectron spectroscopy. Temperature-dependent space-charge-limited current measurements revealed that transport occurs by hopping and the hole mobility is 3.2 × 10 −5 cm 2 V −1 s −1 near room temperature. As a result, the insights from the 2-step procedure provide a pathway towards making semiconducting devices from VODPs.

Kuklinski, Owen [University of California, Santa B↗
DOE OSTI2023

system2atoms

system2atoms is a suite of models that can simulate the performance of hydrogen infrastructure across multiple scales. Examples of the different scale levels include: 1. System Scale - techno-economic analysis for hydrogen applications, integration of hydrogen infrastructure with the electrical grid, and supply and demand constraints across applications 2. Component Scale - continuous-flow catalyst beds, electrochemical conversion units, gas-phase separators, pumps, compressors, storage tanks, evaporators, heaters, and coolers 3. Material Scale - surface reactions, degradation mechanisms, and catalyst poisoning

Mcnenly, MatthewJ↗
DOE OSTI2023

Unique nanotechnology converts carbon dioxide to valuable products

Carbon capture and management are increasing challenges associated with global warming. Current commercial-scale carbon dioxide (CO 2 ) capture technologies are associated with a heavy economic penalty – they require at least one-third of the plant’s steam and power to operate. The objective of this project was to develop and test an innovative nanotechnology that can utilize CO 2 , from coal-based power systems or other industrial sources, as the primary feedstock to produce commercially valuable products to potentially offset the cost of CO 2 capture. The scope of this project includes conversion of CO 2 to nanomaterials using two unique amino acids in synthetic flue gases and the completion of a process design and techno-economic and lifecycle analyses to demonstrate the economic feasibility and environmental impact of the developed technology. The International Energy Agency predicts that fossil fuels will continue to play a significant role in meeting global energy demand. The goal of the research is to lead to an affordable and transformational CO 2 capture and reuse technology that will reduce the release of CO 2 thereby reducing global climate variability and its enormous impact on our daily lives.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Investigations into Balancing Peak-to-Average Power Ratio and Mean Power Extraction for a Two-Body Point-Absorber Wave Energy Converter

The power harnessed by wave energy converters (WECs) in oceans is highly variable and, therefore, has a high peak-to-average power (PTAP) ratio. To minimize the cost of a WEC power take off (PTO) system, it is desirable to reduce the PTAP ratio while maximizing the mean power extracted by WECs. The important issue of how PTAP ratio reduction measures (such as adding an inertia element) can affect the mean power extracted in a reference model has not been thoroughly addressed in the literature. To investigate this correlation, this study focuses on the integration of the U.S. Department of Energy’s Reference Model 3, a two-body point absorber, with a slider-crank WEC for linear-to-rotational conversion. In the first phase of this study, a full-scale numerical model was developed that predicts how PTO system parameters, along with an advanced control algorithm, can potentially affect the proposed WEC’s PTAP ratio as well as the mean power extracted. In the second phase, an appropriate scaled-down model was developed, and extracted power results were successfully validated against the full-scale model. Finally, numerical and hardware-in-the-loop (HIL) simulations based on the scaled-down model were designed and conducted to optimize or make trade-offs between the operational performance and PTAP ratio. The initial results with numerical and HIL simulations reveal that gear ratio, crank radius, and generator parameters substantially impact the PTAP ratio and mean power extracted.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

Biological upgrading of biogas assisted with membrane supplied hydrogen gas in a three-phase upflow reactor

Biogas upgrading via CO 2 conversion to CH 4 is an emerging technology for renewable natural gas production and carbon management, but its development is limited by the low H 2 gas to liquid phase transfer. Herein, an innovative biogas upgrading system employing a three-phase design was studied for CO 2 conversion with H 2 supply via gas-permeable membrane. The system produced biogas consisted of 74.1 ± 7.1 % CH 4 and 25.9 ± 7.1 % CO 2 with intermittent injection of H 2 . When H 2 supply was continuous, the CH 4 content increased to 91.6 ± 2.2 % at a H 2 :CO 2 ratio of 4.4. Although a higher ratio of 5.5 could result in a higher CH 4 percentage of 95.2 ± 2.5 %, biogas production rate started to decrease. The removal efficiency of organic contents remained above 90 % throughout the experiment. Microbial community analysis corroborated the findings, showing that hydrogenotrophic Methanobacteriaceae was more prevalent in the biofilm (71.9 %) compared to that in anaerobic digestion (15.8 %) and effluent (14.1 %).

Agriculture↗
DOE OSTI2022

CH 4 steam reforming on Pt + Pd/Al 2 O 3 monolith: impact of Mn 0.5 Fe 2.5 O 4 spinel addition

The performance of Pt + Pd/Al 2 O 3 monolith catalysts was analyzed under a feed (H 2 + CO + CH 4 + NO + O 2 + H 2 O + CO 2 ) simulating the exhaust gas of stoichiometric natural gas vehicles (NGVs). The flow reactor results show enhanced low temperature (<400 °C) CH 4 oxidation activity under cyclic lean/rich feed modulation and with Mn 0.5 Fe 2.5 O 4 (MFO) spinel addition to the platinum group metal (PGM) catalyst. In the absence of the MFO spinel, the PGM catalyst can achieve full CH 4 conversion, but the presence of spinel in the catalyst limits the high temperature (>500 °C) CH 4 conversion. The depletion of gas phase O 2 , as indicated by the detection of products CO and H 2 in the reactor effluent at higher temperature and CH 4 conversion, portends the emergence of steam reforming of CH 4 (SRM). To investigate the cause of the detrimental impact of spinel under the high temperature, net rich regime, we show through a combination of SRM experiments and post-reaction catalyst characterization that SRM is negatively impacted by the accumulation of Mn and Fe spinel species on the PGM catalyst. This is due to the migration of the base metal species and potential encapsulation and blockage of PGM active sites. The latter is supported by density functional theory (DFT) calculations that indicate favorable metal oxide decoration of active Pt step sites. Lastly, a zoned catalyst design is developed that mitigates the detrimental metals migration while exploiting the methane conversion enhancement afforded by spinel oxides under oxygen rich conditions.

03 NATURAL GAS↗
DOE OSTI2022

Dynamically tunable second-harmonic generation using hybrid nanostructures incorporating phase-change chalcogenides

Nonlinear metasurfaces with high conversion efficiencies have been vastly investigated. However, strong dynamic tunability of such devices is limited in conventional passive plasmonic and dielectric material platforms. Germanium antimony telluride (GST) is a promising phase-change chalcogenide for the reconfiguration of metamaterials due to strong nonvolatile changes of the real and imaginary parts of the refraction index through amorphous-crystalline phase change. The orderly structured GST has an even higher potential in tunable second-harmonic generation (SHG) with a non-centrosymmetric crystal structure at the crystalline phase, while the amorphous phase of GST does not exhibit bulk second-order nonlinearity. Here, we experimentally demonstrate SHG switches by actively controlling the crystalline phase of GST for a GST-based hybrid metasurface featuring a gap-surface plasmon resonance, and a quarter-wave asymmetric Fabry–Perot (F–P) cavity incorporating GST. We obtain SHG switches with modulation depths as high as ~ 20 dB for the wavelengths at the on-state resonance. We also demonstrate the feasibility of multi-level SHG modulation by leveraging three controlled GST phases, i.e., amorphous, semi-crystalline, and crystalline, for the gap-surface plasmon hybrid device, which features stronger light–matter interaction and has higher resonant SHG efficiencies than the asymmetric F–P cavity device at respective GST phases. This research reveals that GST-based dynamic SHG switches can be potentially employed in practical applications, such as microscopy, optical communication, and photonic computing in the nonlinear regime.

42 ENGINEERING↗
DOE OSTI2026

matsim-agents v1.0

matsim-agents is a multi-agent AI framework for atomistic materials simulation and discovery. It orchestrates large language models (LLMs), machine-learned interatomic potentials (MLIPs), and DFT codes into a single agentic loop running on laptops and DOE leadership-class supercomputers. MULTI-AGENT ORCHESTRATION A LangGraph state machine with three nodes: a Planner that converts a natural-language research objective into structured tasks; an Executor that dispatches atomistic tools and loops until the queue is empty; and an Analyst that summarizes results into a human-readable report. State is checkpointed after every step and human-in-the-loop gates can be inserted at any edge. HYPOTHESIS-DRIVEN DISCOVERY CHAT An interactive REPL (matsim-agents chat) that couples LLM dialogue with atomistic simulation. Chemical formulas are automatically detected in conversation turns and trigger a full crystal-phase exploration: structure generation → relaxation → stability scoring → result injection back into the conversation, creating a closed hypothesis-refinement loop. CRYSTAL PHASE ENUMERATION Given a composition, the phase explorer enumerates prototypes by stoichiometry: elemental (fcc/bcc/hcp/sc/diamond), binary 1:1 (rocksalt/CsCl/zincblende/ wurtzite/fluorite/rutile), ternary 1:1:3 (cubic perovskite), ternary 1:2:4 (perovskite + spinel), quaternary 1:1:2:6 (Fm-3m double perovskite). 2-D prototypes (graphene, h-BN, MoS2 2H/1T) and multilayer stacking are also supported via --include-2d and --num-layers. SUPERCELL GENERATION AND SITE DECORATION Auto-tiling to a minimum atom count (--min-atoms), explicit NxNxN tiling (--supercell), symmetry-distinct site decorations (--n-orderings), and isotropic lattice-scale sweeps (--lattice-scales) for volume bracketing. MLFF RELAXATION AND STABILITY SCORING HydraGNN (multi-headed GNN) drives structure relaxation via ASE with FIRE, BFGS, or BFGSLineSearch. Stability output: delta-E/atom ranking across phases and a max-residual-force dynamical-stability proxy. Other MLIPs (MACE, NequIP, Orb) can be plugged in through the same interface. DFT BACKENDS Quantum ESPRESSO pw.x and VASP 6.6 are first-class labellers. Both have validated GPU builds and SLURM/PBS launchers for three DOE platforms: Frontier (AMD MI250X, ROCm), Aurora (Intel PVC, oneAPI), Perlmutter (NVIDIA A100, CUDA). QE produces ~100 binaries (pw.x, ph.x, epw.x, ...). VASP supports scf, relax, vc-relax, and vc-relax-shape run types. ACTIVE-LEARNING LOOP matsim-agents al run CONFIG.yaml drives an iterative HydraGNN-DFT loop: MD generates candidates → ensemble/MC-dropout uncertainty selects the most informative → DFT labels them in parallel inside one allocation → dataset grows → HydraGNN retrains → repeat. DFT backend is a single YAML toggle (dft.backend: vasp | qe). LLM-generated seed structures are supported (no curated POSCAR library needed). Config uses ${VAR}, ${VAR:-default}, ${VAR:?msg} shell-style substitution for cross-user/cross-site portability. LLM BACKENDS Ollama (local, default), vLLM (HPC multi-GPU serving), OpenAI, Anthropic, HuggingFace Transformers+Accelerate. Selected at runtime via flag or env var with no code changes. HPC PORTABILITY Same Python entry points run on Frontier (ROCm 7.2), Aurora (oneAPI), and Perlmutter (CUDA 12). DFT and ML stacks are never co-loaded in the same shell; they couple through the scheduler and filesystem. Advanced multi-node launchers (serve, discovery-chat, single-relaxation, active-learning, QE warm-start) are provided for all three platforms. CODABENCH COMPETITION BUNDLE A self-contained benchmark: 159 atomistic test structures across 11 material classes, 5 tasks (formation energy, forces, ML relaxation, AI-DFT relaxation, phase stability ranking), public/private leaderboard split (30/70), and four ready-to-run baselines: MACE-MP-0, HydraGNN, UMA, AllScAIP.

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗
DOE OSTI2020

A Modular Heat Engine for the Direct Conversion of Natural Gas to Hydrogen and Power using Hydrogen Turbines (Phase I Final Report)

This report describes a novel, modular heat engine comprising of a one-step hydrogen production from natural gas with in-situ CO 2 separation which is amenable for re-use or sequestration. Combining with a hydrogen turbine subsystem, a distributed or central power generation system is conceived. An added hydrogen storage subsystem enables load-following capability. The techno-economics of the overall system compared favorably against current state-of-the-art natural gas combined cycle plants with post-combustion CO 2 capture.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Compositionally Complex Spinel Oxides as Conversion Anodes for Lithium-Ion Batteries

Four different compositionally complex multicomponent M 3 O 4 spinels containing 5–8 distinct metals were prepared by a rapid combustion synthesis method or solvothermal synthesis. High resolution synchrotron X-ray diffraction patterns show that the materials consist primarily of spinel phases with small amounts of rock salt impurities, and, in several samples, a minor amount of contracted spinel phase. Materials were investigated as conversion anodes in lithium half-cells and delivered significantly higher capacities than two-component MgFe 2 O 4 made by combustion synthesis. X-ray absorption near-edge structure (XANES) was used to estimate the oxidation states of the metals in the pristine, lithiated (discharged) and delithiated (charged) materials to better understand the redox processes in half cells that led to the improvement. Co, Ni, and Zn are reduced to low oxidation states during lithiation (cell discharge) but are only partially oxidized. The presence of a conductive metallic network that forms after lithiation is thought to account for the improved electrochemical characteristics. Interestingly, in most of the samples, iron is not fully reduced during initial lithiation unlike what happens with a set of related high entropy spinel ferrites studied previously. Finally, the improved electrochemical properties of these materials illustrates both the advantages of complexity and the difficulties in predicting their behavior.

25 ENERGY STORAGE↗
DOE OSTI2023

Orthogonal spatial coding with stimulated parametric down-conversion

Orthogonal optical coding is widely used in classical multi-user communication networks. Using the phase conjugation property of stimulated parametric down-conversion, we extend the current time-domain orthogonal optical coding scheme to the spatial domain to encode and decode image information. In this process, the idler beam inherits the complex conjugate of the field information encoded in the seed beam. An encoding phase mask introduced onto the input seed beam blurs the image transferred to the idler. The original image is restored by passing the coded transferred image through a corrective phase mask placed in the momentum space of the idler beam. We expect that this scheme can also inspire new techniques in secure image transmission, aberration cancellation, and frequency conversion imaging.

Xu, Yang↗
DOE OSTI2022

Conversion of (NH 4 ) 2 [ReF 6 ] into ReO 2 mixed phases: A thermal analysis study

We report the thermal behavior of (NH 4 ) 2 [ReF 6 ] was evaluated in an alumina crucible using simultaneous thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC) in an argon atmosphere. The TGA of (NH 4 ) 2 [ReF 6 ] is characterized by a single step decomposition while the DSC exhibits two exothermic peaks. Powder X-ray diffraction (PXRD) analyses of the decomposition products show the presence of a mixed ReO 2 phase. The formation of ReO2 is driven by the reaction of (NH 4 ) 2 [ReF 6 ] with Al 2 O 3 at the grain boundary of the alumina crucible. XRD peak broadenings due to the combined effect of crystallite size and lattice strain were evaluated using both Scherrer and Williamson-Hall methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Understanding the Importance of Labile Fe(III) during Fe(II)-Catalyzed Transformation of Metastable Iron Oxyhydroxides

Transformation of metastable Fe(III) oxyhydroxides is a prominent process in natural environments and can be significantly accelerated by the coexisting aqueous Fe(II) (Fe(II) aq ). Recent evidence points to the solution mass transfer of labile Fe(III) (Fe(III) labile ) as the primary intermediate species of general importance. However, a mechanistic aspect that remains unclear is the dependence of phase outcomes on the identity of the metastable Fe(III) oxyhydroxide precursor. Here, we compared the coupled evolution of Fe(II) species, solid phases, and Fe(III) labile throughout the Fe(II)-catalyzed transformation of lepidocrocite (Lp) versus ferrihydrite (Fh) at equal Fe(III) mass loadings with 0.2–1.0 mM Fe(II) aq at pH = 7.0. Similar to Fh, the conversion of Lp to product phases occurs by a dissolution–reprecipitation mechanism mediated by Fe(III) labile that seeds the nucleation of products. Though for Fh we observed a transformation to goethite (Gt), accompanied by the transient emergence and decline of Lp, for initial Lp we observed magnetite (Mt) as the main product. Further, a linear correlation between the formation rate of Mt and the effective supersaturation in terms of Fe(III) labile concentration shows that Fe(II)-induced transformation of Lp into Mt is governed by the classical nucleation theory. When Lp is replaced by equimolar Gt, Mt formation is suppressed by opening a lower barrier pathway to Gt by heterogeneous nucleation and growth on the added Gt seeds. The collective findings add to the mechanistic understanding of factors governing phase selections that impact iron bioavailability, system redox potential, and the fate and transport of coupled elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Revealing Coexisting Cu0–Cu+ Sites in Cu3N Nanoensembles for Selective CC Coupling of CO2 Under Low Overpotential

To address a long-existing debate on what copper species are responsible for efficient CC coupling, especially ethanol formation, in electrochemical CO2 reduction reaction, herein, a comprehensive study using Cu3N nanocubes with a uniform size and shape, alongside a single crystalline phase is reported. The Cu3N nanoensemble electrode has a remarkable Faradaic efficiency (FE) of 64% for ethanol production at a relatively low potential of -0.6 V versus reversible hydrogen electrode. Through in-operando X-ray absorption spectroscopy study, a dynamic phase evolution that directly correlates with changes in FE across varying applied potentials is observed. Notably, the nanoensemble with a composition of ≈71% Cu+ and 29% Cu0 is identified as being selective for ethanol formation at the low overpotential. Conversely, a predominantly metallic Cu phase formed at potentials more negative than -0.6 V favors the hydrogen evolution reaction. Density functional theory calculations at the Cu3N-Cu interface substantiate that the coexistence of Cu0-Cu+ not only energetically favors the ethanol reaction pathway but also destabilizes the intermediates for ethylene pathway.

*CH-CHO as an intermediate for ethanol production↗
DOE OSTI2023

Enhanced Switching Reliability of Hf 0.5 Zr 0.5 O 2 Ferroelectric Films Induced by Interface Engineering

Ferroelectric materials have been widely researched for applications in memory and energy storage. Among these materials and benefiting from their excellent chemical compatibility with complementary metal–oxide–semiconductor (CMOS) devices, hafnia-based ferroelectric thin films hold great promise for highly scaled semiconductor memories, including nonvolatile ferroelectric capacitors and transistors. However, variation in the switched polarization of this material during field cycling and a limited understanding of the responsible mechanisms have impeded their implementation in technology. Here, we show that ferroelectric Hf 0.5 Zr 0.5 O 2 (HZO) capacitors that are nearly free of polarization “wake-up”─a gradual increase in switched polarization as a function of the number of switching cycles─can be achieved by introducing ultrathin HfO 2 buffer layers at the HZO/electrodes interface. High-resolution transmission electron microscopy (HRTEM) reveals crystallite sizes substantially greater than the film thickness for the buffer layer capacitors, indicating that the presence of the buffer layers influences the crystallization of the film (e.g., a lower ratio of nucleation rate to growth rate) during postdeposition annealing. This evidently promotes the formation of a polar orthorhombic (O) phase in the as-fabricated buffer layer samples. Synchrotron X-ray diffraction (XRD) reveals the conversion of the nonpolar tetragonal (T) phase to the polar orthorhombic (O) phase during electric field cycling in the control (no buffer) devices, consistent with the polarization wake-up observed for these capacitors. The extent of T–O transformation in the nonbuffer samples is directly dependent on the duration over which the field is applied. Here these results provide insight into the role of the HZO/electrodes interface in the performance of hafnia-based ferroelectrics and the mechanisms driving the polarization wake-up effect.

36 MATERIALS SCIENCE↗
DOE OSTI2025

In Situ/Operando Probing of Dynamic Phase Structures of Alumina‐Supported Ultrasmall Copper‐Gold Alloy Nanoparticles Under Reaction Conditions

Abstract The ability to control phase structures and surface sites of ultrasmall alloy nanoparticles under reaction conditions is essential for preparing catalysts by design. This is, however, challenging due to limited understanding of the atomic‐scale phases and their correlation with the ensemble‐averaged structures and activities of catalysts during catalytic reactions. We reveal here a dynamic structural stability of alumina‐supported ultrasmall and equiatomic copper‐gold alloy nanoparticles under reaction conditions as a model system in the in situ/operando study. In situ atomic‐scale morphological tracking under oxygen reveals temperature‐dependent dynamic crystalline‐amorphous dual‐phase structures, showing dynamic stability over an elevated temperature range. This atomic‐scale dynamic phase stability coincides with a “conversion plateau” observed for carbon monoxide oxidation on the catalyst. It is substantiated by the stable lattice ordering/disordering structures and surface sites with oscillatory characteristics shown by operando ensemble‐average structural tracking of the catalyst during the oxidation reaction. The understanding of the atomic‐scale dynamic phase structures in correlation with the ensemble‐average dynamic ordering/disordering phase structures and surface sites provides fresh insights into the unique synergy of the supported alloy nanoparticles. This understanding has implications for the design and structural tuning of active and stable ultrasmall alloy catalysts under elevated temperatures.

Chemistry↗
DOE OSTI2023

Potassium jarosite seeding of soils decreases lead and arsenic bioaccessibility: A path toward concomitant remediation

Soils are common sources of metal(loid) contaminant exposure globally. Lead (Pb) and arsenic (As) are of paramount concern due to detrimental neurological and carcinogenic health effects, respectively. Pb and/or As contaminated soils require remediation, typically leading to excavation, a costly and environmentally damaging practice of removing soil to a central location (e.g., hazardous landfill) that may not be a viable option in low-income countries. Chemical remediation techniques may allow for in situ conversion of soil contaminants to phases that are not easily mobilized upon ingestion; however, effective chemical remediation options are limited. Here, we have successfully tested a soil remediation technology using potted soils that relies on converting soil Pb and As into jarosite-group minerals, such as plumbojarosite (PLJ) and beudantite, possessing exceptionally low bioaccessibility [i.e., solubility at gastric pH conditions (pH 1.5 to 3)]. Across all experiments conducted, all new treatment methods successfully promoted PLJ and/or beudantite conversion, resulting in a proportional decrease in Pb and As bioaccessibility. Increasing temperature resulted in increased conversion to jarosite-group minerals, but addition of potassium (K) jarosite was most critical to Pb and As bioaccessibility decreases. Our methods of K-jarosite treatment yielded <10% Pb and As bioaccessibility compared to unamended soil values of approximately 70% and 60%, respectively. In conclusion, the proposed treatment is a rare dual remediation option that effectively treats soil Pb and As such that potential exposure is considerably reduced. Research presented here lays the foundation for ongoing field application.

54 ENVIRONMENTAL SCIENCES↗